SCHEMBL7594396

SCHEMBL7594396

CCC[C@H]1CC[C@H](CC[C@H]2CC[C@H](c3ccc(F)c(F)c3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
ESR2 Q92731 3/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
USP30 Q70CQ3 1/20 0.36
OPRL1 P41146 1/20 0.35
USP5 P45974 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HCRTR2 O43614 2/20 0.34
CCR2 P41597 1/20 0.34
DRD2 P14416 2/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 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
SCHEMBL7507561 1.00 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8452476 1.00 CYP2C9 (0.50) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL10601806 0.98 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8464978 0.98 CYP2C9 (0.51) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL9244635 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939463 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939457 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL12012972 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL8939465 0.95 CYP2C9 (0.47) CYP2C9ALDH1A1LMNAMAPTMEN1
SCHEMBL548067 0.94 CYP2C9 (0.48) CYP2C9ALDH1A1LMNAMAPTMEN1

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 29 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
EP-0667555-B1 Active matrix type liquid crystal display apparatus HITACHI LTD (JP) 2002-08-28 EP disclosed
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
EP-0657460-B1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2000-04-12 EP disclosed
EP-0704512-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-03-08 EP disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5910271-A Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1999-06-08 US disclosed
EP-0672742-B1 A hexenediyne derivative and a liquid crystal composition CHISSO CORP (JP) 1999-02-10 EP disclosed
EP-0733610-B1 Liquid crystalline compound, liquid crystal composition containing the same and liquid crystal display device CHISSO CORP (JP) 1998-10-28 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0502406-B1 Nematic liquid-crystal composition for active matrix application SHARP KK (JP) 1995-11-15 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed
EP-0672742-A1 A hexenediyne derivative and a liquid crystal composition CHISSO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0667555-A1 Active matrix type liquid crystal display apparatus HITACHI, LTD. (JP) 1995-08-16 EP disclosed
EP-0657460-A1 A silacyclohexane compound, a method of prepraring it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-06-14 EP disclosed
US-5330679-A Low temperature stability MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-19 US 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