SCHEMBL18639799

SCHEMBL18639799

CC(C)Cc1[c]c2c(cc1)-c1ccc(CC(C)C)cc1C2

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
S1PR1 P21453 1/20 0.30

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
SCHEMBL2933697 0.81 GABRA1 (0.46) GABRA1GABRB2ALDH1A1TSHRATM
SCHEMBL2035847 0.77 ALDH1A1 (0.34) ALDH1A1TSHRATMNPSR1
SCHEMBL2039541 0.75 CNR1 (0.38) ALDH1A1TSHRATMNPSR1
SCHEMBL2037493 0.72 SKP2 (0.40) NPSR1S1PR1
SCHEMBL629048 0.72 ALDH1A1 (0.40) GABRA1GABRB2ALDH1A1TSHRNPSR1
SCHEMBL28051884 0.70 GABRA1 (0.46) GABRA1GABRB2ALDH1A1TSHRATM
SCHEMBL4338324 0.68 ALDH1A1 (0.34) ALDH1A1TSHRATMNPSR1
SCHEMBL23570446 0.66 GABRA1 (0.42) GABRA1GABRB2TSHR
SCHEMBL15525201 0.66 GABRA1 (0.36) GABRA1GABRB2ALDH1A1TSHRATM
SCHEMBL16245884 0.65 GABRA1 (0.44) GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017048448-A1 PROCESS FOR MAKING BRANCHED EPDM AND EPDM THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2017-03-23 WO disclosed