SCHEMBL6404752

SCHEMBL6404752

CC(c1cccc(Cc2cccc(C(C)C(C)(C)C)c2O)c1O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 5/20 0.42
GABRB2 P47870 4/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
CA2 P00918 2/20 0.42
TSHR P16473 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
GABRB1 P18505 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42
GABRA2 P47869 1/20 0.42

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
SCHEMBL430924 0.84 GABRA1 (0.58) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL21734367 0.80 GABRA1 (0.67) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL4459158 0.71 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL920328 0.71 GABRA1 (0.64) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL1274738 0.70 GABRA1 (0.57) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL9086682 0.70 GABRA1 (0.42) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL9343273 0.70 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL28236194 0.70 GABRA1 (0.60) GABRA1GABRB2GABRG2GABRB3CA2
SCHEMBL23590690 0.69 GABRA1 (0.41) GABRA1GABRB2
SCHEMBL10871287 0.69 GABRA1 (0.55) GABRA1GABRB2GABRG2GABRB3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143500-A1 Stabilizer mixtures GUGUMUS FRANCOIS (CH) 2005-06-30 US disclosed
US-6407190-B1 COMPLEX CIBA SPECIALTY CHEMICALS CORPORATION 2002-06-18 US disclosed