SCHEMBL6903718

SCHEMBL6903718

CC(C)(C)c1ccc2c(c1)Cc1cc(C(C)(C)C)cc(CCl)c1CC2

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.37
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C19 P33261 2/20 0.31
MLNR O43193 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
SCHEMBL6905892 0.81 PON1 (0.36) PON1ELANECD69CYP2D6CYP1A2
SCHEMBL6906312 0.81 CYP2D6 (0.35) ELANECD69CYP2D6
SCHEMBL6907158 0.80 POLB (0.34) ELANECD69MLNR
SCHEMBL6900356 0.79 ALDH1A1 (0.43) ELANECD69CYP1A2CYP2C19MLNR
SCHEMBL9761249 0.78 PON1 (0.38) PON1ELANECD69CYP2D6CYP1A2
SCHEMBL6903879 0.73 ALDH1A1 (0.44) ELANECD69CYP2D6CYP1A2CYP2C19
SCHEMBL6906560 0.72 ELANE (0.37) ELANECD69CYP2D6
SCHEMBL6903925 0.71 ALDH1A1 (0.43) ELANECD69CYP1A2CYP2C19MLNR
SCHEMBL313561 0.69 CYP1A2 (0.38) PON1CYP2D6CYP1A2CYP2C19
SCHEMBL6901135 0.68 POLB (0.41) ELANECD69CYP2D6

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-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed
US-20020032256-A1 Polybutadiene composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-03-14 US disclosed