SCHEMBL9475140

SCHEMBL9475140

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 2/20 0.70
▸ HIF1A Q16665 4/20 0.56
▸ CYP2C9 P11712 3/20 0.56
▸ CYP2C19 P33261 3/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ DHFR P00374 1/20 0.54
▸ ALDH1A1 P00352 8/20 0.53
▸ TSHR P16473 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ MAPK1 P28482 3/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ ATM Q13315 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ ALOX15 P16050 2/20 0.52
▸ GMNN O75496 1/20 0.52

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
SCHEMBL39543 0.96 HSPA5 (0.65) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL11248433 0.96 HSPA5 (0.76) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL39559 0.89 ALDH1A1 (0.63) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL18902069 0.89 HSPA5 (0.71) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL1433745 0.89 HSPA5 (0.56) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL6362561 0.89 HSPA5 (0.56) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL9817016 0.88 HSPA5 (0.60) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL526641 0.87 ALDH1A1 (0.61) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL11679351 0.87 HSPA5 (0.59) HSPA5HIF1ACYP2C9CYP2C19SMN1; SMN2
SCHEMBL27168253 0.87 HSPA5 (0.54) HSPA5HIF1ACYP2C9CYP2C19SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5268113-A Blend of an oil and a steric hindered amine CIBA-GEIGY CORPORATION (US) 1993-12-07 — — US disclosed
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