SCHEMBL7729615

SCHEMBL7729615

CCCCCC1=CCC(C(=O)OCC)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 7/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1B1 Q16678 1/20 0.37
PDK1 Q15118 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL849987 0.96 ALOX15 (0.53) ALOX15TSHRMAPK1ALDH1A1POLB
SCHEMBL20562726 0.84 ALOX15 (0.57) ALOX15TSHRMAPK1ALDH1A1L3MBTL1
SCHEMBL2525156 0.82 S1PR5 (0.43) ALOX15TSHRMAPK1ALDH1A1POLB
SCHEMBL9414353 0.81 ALDH1A1 (0.40) ALOX15TSHRMAPK1ALDH1A1CYP1B1
SCHEMBL6751661 0.81 ALOX15 (0.43) ALOX15TSHRMAPK1ALDH1A1POLB
SCHEMBL9414348 0.80 ALDH1A1 (0.58) ALOX15TSHRMAPK1ALDH1A1CYP1B1
SCHEMBL21609550 0.80 ALDH1A1 (0.58) ALOX15TSHRMAPK1ALDH1A1CYP1B1
SCHEMBL7814192 0.80 MEN1 (0.51) ALOX15TSHRMAPK1ALDH1A1POLB
SCHEMBL29120643 0.80 ALOX15 (0.54) ALOX15TSHRMAPK1ALDH1A1CYP1B1
SCHEMBL20747471 0.79 TSHR (0.44) ALOX15TSHRMAPK1ALDH1A1L3MBTL1

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