SCHEMBL6900212

SCHEMBL6900212

CC(C)(C)c1cc(Br)c2c(c1)Cc1cc(C(C)(C)C)cc(Br)c1CC2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ELANE P08246 1/20 0.38
CD69 Q07108 1/20 0.38
TSHR P16473 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
CASP1 P29466 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TLR4 O00206 3/20 0.33
CD14 P08571 3/20 0.33
LY96 Q9Y6Y9 3/20 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
SCHEMBL6901135 0.79 POLB (0.41) CYP2D6ELANECD69TSHRCYP3A4
SCHEMBL6904879 0.73 MAPT (0.43) ELANECD69ALDH1A1CYP3A4HPGD
SCHEMBL15822204 0.72 CYP1A2 (0.36) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3682913 0.72 ALDH1A1 (0.33) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5410180 0.71 AHR (0.34) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6907158 0.71 POLB (0.34) ELANECD69TSHRHSD17B10ALDH1A1
SCHEMBL27706470 0.69 ALDH1A1 (0.35) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL3888554 0.69 ALDH1A1 (0.35) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30430052 0.69 ALDH1A1 (0.35) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1319760 0.68 HIF1A (0.33) HIF1ACYP1A2CYP2D6CYP2C9CYP2C19

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
US-6815481-B2 FUSED DIBENZO THERMAL STABILIZERS SUCH AS ANTHRACENE, XANTHENE AND ANTHRONE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-09 US disclosed