SCHEMBL7737508

SCHEMBL7737508

C=CCC1=CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CES2 O00748 1/20 0.33

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
SCHEMBL8405462 0.80
SCHEMBL8408653 0.80
SCHEMBL2697911 0.77 ALDH1A1 (0.36) ALOX15CYP1B1ALDH1A1CES2
SCHEMBL10626341 0.76 ALOX15 (0.32) ALOX15CYP1B1ALDH1A1
SCHEMBL22019179 0.75
SCHEMBL7729792 0.75 ALDH1A1 (0.42) ALOX15CYP1B1ALDH1A1
SCHEMBL9703198 0.74 ALOX15 (0.31) ALOX15CYP1B1ALDH1A1
SCHEMBL11775183 0.74
SCHEMBL11167842 0.72
SCHEMBL22498226 0.72 CES2 (0.40) ALOX15CYP1B1ALDH1A1CES2

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 3 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