SCHEMBL7753115

SCHEMBL7753115

CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3cc(F)c(F)c(F)c3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.35
KMT2A Q03164 5/20 0.34
MAPT P10636 5/20 0.34
MAPK1 P28482 4/20 0.34
MEN1 O00255 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 3/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
CYP2D6 P10635 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 2/20 0.31
POLB P06746 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL7753113 1.00 CYP1A2 (0.38) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL7753109 1.00 CYP1A2 (0.38) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL8736448 1.00 CYP1A2 (0.38) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL8734616 0.95 MEN1 (0.37) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL3437353 0.95 MEN1 (0.37) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL7756549 0.95 MEN1 (0.37) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL7756537 0.95 MEN1 (0.37) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL9763896 0.95 CYP1A2 (0.41) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL8862221 0.95 CYP1A2 (0.41) CYP1A2CYP2C9KMT2AMAPTMAPK1
SCHEMBL9763955 0.94 MAPT (0.38) CYP1A2CYP2C9KMT2AMAPTMAPK1

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 17 patents. 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
EP-0718387-B1 A liquid crystal composition and a liquid crystal display element which contains it SHINETSU CHEMICAL CO (JP) 2001-03-14 EP disclosed
US-6004478-A LIQUID CRYSTAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 1999-12-21 US disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
US-5762826-A Liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-06-09 US disclosed
US-5720899-A Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-02-24 US disclosed
US-5653911-A Liquid crystalline compound liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1997-08-05 US disclosed
EP-0732335-A1 Novel silacyclohexane compounds, preparation thereof, liquid crystal compositions comprising the same, and liquid crystal devices comprising the composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-09-18 EP disclosed
EP-0718387-A1 A liquid crystal composition and a liquid crystal display element which contains it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-26 EP disclosed
EP-0502407-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1996-02-07 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
US-5330679-A Low temperature stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-19 US disclosed
EP-0502407-A1 Nematic liquid-crystal composition for active matrix application SHARP CORPORATION (JP) 1992-09-09 EP disclosed
US-5032313-A Trifluorobenzene derivative and liquid crystal composition containing the same CHISSO CORPORATION (JP) 1991-07-16 US disclosed
EP-0387032-A1 Trifluorobenzene derivatives and liquid crystal compositions containing the same Chisso Corporation (JP) 1990-09-12 EP disclosed