SCHEMBL12733195

SCHEMBL12733195

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(-n2n3c4ccccc4n23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.44
▸ CYP2C19 P33261 5/20 0.43
▸ CYP2C9 P11712 4/20 0.43
▸ HIF1A Q16665 3/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CYP2D6 P10635 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ATM Q13315 1/20 0.36
▸ F2R P25116 4/20 0.35
▸ ALOX5 P09917 2/20 0.34
▸ PTGS2 P35354 2/20 0.34

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
SCHEMBL12733192 0.93 HSPA5 (0.57) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL12733208 0.93 HSPA5 (0.54) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL12733198 0.88 CYP2C19 (0.35) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL9002281 0.87 TSHR (0.46) CYP2C19CYP2C9SMN1; SMN2CYP1A2CYP3A4
SCHEMBL13840736 0.85 BCL2 (0.42) CYP2C19SMN1; SMN2ALDH1A1CYP2D6ALOX5
SCHEMBL12733203 0.84 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL12733199 0.84 HSPA5 (0.41) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL3685892 0.81 HSPA5 (0.63) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2
SCHEMBL2612596 0.80 CYP3A4 (0.40) CYP2C9HIF1ASMN1; SMN2CYP3A4ALDH1A1
SCHEMBL3077803 0.80 HSPA5 (0.42) HSPA5CYP2C19CYP2C9HIF1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919219-B2 Electrophotographic photosensitive body HODOGAYA CHEMICAL CO., LTD. (JP) 2011-04-05 — — US disclosed
US-7534539-B2 Electrophotographic photoreceptor and image forming apparatus having the same SHARP KABUSHIKI KAISHA (JP) 2009-05-19 — — US disclosed
US-20080044750-A1 Electrophotographic Photosensitive Body HODOGAYA CHEMICAL CO., LTD. (JP) 2008-02-21 — — US disclosed
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