SCHEMBL7510501

SCHEMBL7510501

CCCCCC1CCC(CCC2CCC(c3ccc(Cl)c(F)c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
GAA P10253 1/20 0.36
SPHK1 Q9NYA1 3/20 0.36
OPRL1 P41146 7/20 0.36
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
S1PR3 Q99500 1/20 0.34
ESR2 Q92731 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 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
SCHEMBL8456839 1.00 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8456834 1.00 CYP2C9 (0.38) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857676 0.99 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857682 0.99 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857852 0.97 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857856 0.97 SPHK1 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL7913617 0.96 CYP2C9 (0.39) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857782 0.95 CYP2C9 (0.36) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857788 0.95 CYP2C9 (0.36) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL8857785 0.94 CYP2C9 (0.40) CYP2C9MAPTMEN1KMT2AALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0742275-B1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORP (JP) 2002-03-20 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-0733692-B1 Liquid crystalline compound, liquid crystal composition containing the same, and display device CHISSO CORP (JP) 2000-06-14 EP disclosed
EP-0675187-B1 Liquid crystalline compounds and liquid crystal composition CHISSO CORP (JP) 1999-09-15 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5779936-A FLUORINATED BICYCLOHEXANE OR CYCLOHEXYLETHYL CYCLOHEXANE DERIVATIVE HAVING LOW VISCOSITY AND HIGH CLEARING POINT TEMPERATURE CHISSO CORPORATION (JP) 1998-07-14 US disclosed
EP-0828700-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1998-03-18 EP disclosed
WO-1996037451-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1996-11-28 WO disclosed
EP-0742275-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME CHISSO CORPORATION (JP) 1996-11-13 EP disclosed
EP-0733692-A1 Liquid crystalline compound, liquid crystal composition containing the same, and display device Chisso Corporation (JP) 1996-09-25 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0675187-A2 Liquid crystalline compounds and liquid crystal composition Chisso Corporation (JP) 1995-10-04 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed