SCHEMBL6905892

SCHEMBL6905892

CC(C)(C)c1cc(CCl)c2c(c1)CCc1cc(C(C)(C)C)cc(CCl)c1C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PON1 P27169 1/20 0.36
ELANE P08246 1/20 0.35
CD69 Q07108 1/20 0.35
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
TLR4 O00206 3/20 0.31
CD14 P08571 3/20 0.31
LY96 Q9Y6Y9 3/20 0.31

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
SCHEMBL6903718 0.81 PON1 (0.37) PON1ELANECD69CYP2C19CYP2D6
SCHEMBL6906006 0.75 POLB (0.41) ELANECD69CYP2D6TLR4CD14
SCHEMBL6903704 0.74 HTR1D (0.38) ELANECD69CYP2C19CYP2D6CYP1A2
SCHEMBL6907139 0.72 TAAR1 (0.35) CYP2C19CYP2D6CYP2C9HIF1A
SCHEMBL9761249 0.72 PON1 (0.38) PON1ELANECD69CYP2C19CYP2D6
SCHEMBL11223586 0.66 PON1 (0.46) PON1CYP2C19CYP2D6CYP1A2
SCHEMBL21518797 0.65 CYP1A2 (0.36) ELANECD69CYP2C19CYP2D6CYP1A2
SCHEMBL6900216 0.64 POLB (0.35) ELANECD69
SCHEMBL26071974 0.64 CYP2C19 (0.50) PON1CYP2C19CYP2D6CYP1A2CYP2C9
SCHEMBL7969520 0.63 PON1 (0.47) PON1CYP2C19CYP2D6CYP1A2

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