SCHEMBL7739461

SCHEMBL7739461

CC(C)=CCCC1=CCC(COS(=O)(=O)c2ccc(C)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
FNTA P49354 2/20 0.38
PKM P14618 1/20 0.38
PGGT1B P53609 1/20 0.38
MCL1 Q07820 12/20 0.36
BCL2L1 Q07817 7/20 0.36
DHODH Q02127 1/20 0.36
CYP2D6 P10635 1/20 0.35
BCL2 P10415 7/20 0.35
FNTB P49356 1/20 0.34
BID P55957 3/20 0.34
BAK1 Q16611 2/20 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
SCHEMBL28548711 0.86 CYP2D6 (0.43) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7739458 0.84 MEN1 (0.39) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL21609552 0.84 ALDH1A1 (0.46) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL9414343 0.81 CNR1 (0.36) ALDH1A1CYP2D6
SCHEMBL7736938 0.73 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7729602 0.72 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7729596 0.72 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL21609554 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL28487258 0.72 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTFNTA
SCHEMBL7032005 0.71 CYP2D6 (0.45) MEN1KMT2AALDH1A1MAPTCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6413448-B1 ESTERS; DOPANTS; LONGER CHIRAL SMECTIC PHASE PITCH; HIGHER TILT ANGLE; LOWER VISCOSITY; CRYSTALLIZATION SUPPRESSION; IMPROVED SOLUBILITY; BROADER C* PHASE TEMPERATURE RANGE DISPLAYTECH, INC. 2002-07-02 US disclosed
WO-2000065801-A9 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH INC (US) 2001-04-12 WO disclosed
WO-2000065801-A1 CYCLOHEXYL- AND CYCLOHEXENYL-SUBSTITUTED LIQUID CRYSTALS WITH LOW BIREFRINGENCE DISPLAYTECH, INC. (US) 2000-11-02 WO disclosed
EP-0582489-A1 Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INCORPORATED (US) 1994-02-09 EP disclosed
US-5271864-A Ferroelectric liquid crystal compounds with cyclohexenyl cores and compositions containing them DISPLAYTECH, INC. (US) 1993-12-21 US disclosed