SCHEMBL7510169

SCHEMBL7510169

CCCCCC1CCC(CCc2ccc(F)c(F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
S1PR3 Q99500 1/20 0.41
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR1 P21554 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7754624 1.00 CYP3A4 (0.41) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479993 0.98 CYP3A4 (0.40) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8961451 0.98 CYP3A4 (0.43) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8154432 0.98 CYP3A4 (0.43) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479995 0.98 CYP3A4 (0.40) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL8159218 0.98 CYP3A4 (0.43) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479837 0.97 CYP3A4 (0.42) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479835 0.97 CYP3A4 (0.42) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479528 0.97 CYP3A4 (0.42) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19
SCHEMBL10479523 0.97 CYP3A4 (0.42) CYP3A4CYP2C8CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP claimed
US-7198827-B1 Nematic liquid crystal composition and liquid crystal display device using the same DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-04-03 US disclosed
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 EP disclosed
EP-0714899-B1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the compositions SHINETSU CHEMICAL CO (JP) 2001-04-18 EP disclosed
EP-0708107-B1 Novel silacyclohexane compounds, a liquid crystal composition comprising the same and a liquid crystal device comprising the composition SHINETSU CHEMICAL CO (JP) 2001-02-28 EP disclosed
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
EP-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
EP-0659753-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-06-28 EP disclosed
US-5330679-A Low temperature stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-19 US disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
US-5308543-A Fluorinated carbocyclic compounds; high voltage holding ratio; low temperature stability MERCK PATENT GESELLSCHAFT MIT BESRANKTER HAFTUNG (DE) 1994-05-03 US disclosed
EP-0502406-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed
EP-0502407-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed
US-4917819-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1990-04-17 US disclosed
EP-0205998-B1 CYCLOHEXANE DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CONTAINING SAME Chisso Corporation (JP) 1990-02-28 EP disclosed
US-4797228-A Cyclohexane derivative and liquid crystal composition containing same CHISSO CORPORATION (JP) 1989-01-10 US disclosed
EP-0205998-A1 Cyclohexane derivative and liquid crystal composition containing same Chisso Corporation (JP) 1986-12-30 EP disclosed