SCHEMBL9564329

SCHEMBL9564329

CCOc1c(Cc2cc(C)cc(C(C)(C)C)c2O)cc(C)cc1C(C)(C)C

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.71
CYP2C9 P11712 4/20 0.69
CYP2C19 P33261 4/20 0.69
HIF1A Q16665 3/20 0.69
SMN1; SMN2 Q16637 3/20 0.69
CYP2D6 P10635 2/20 0.61
HSD17B10 Q99714 1/20 0.61
CA2 P00918 3/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
TYR P14679 1/20 0.49
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
AMY1A P0DUB6 1/20 0.38
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.35
CA1 P00915 2/20 0.34
CYP1A2 P05177 1/20 0.34
HMGCR P04035 1/20 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
SCHEMBL9414513 0.85 HSPA5 (0.75) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29351672 0.84 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29415372 0.84 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL34162 0.84 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL2705478 0.83 HSPA5 (0.63) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
Methoxymethane SCHEMBL9414514 0.82 HSPA5 (0.89) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29357108 0.82 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29410654 0.82 HSPA5 (0.96) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11247674 0.82 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL39149 0.82 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; 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
EP-0550494-A1 METHOD FOR REDUCING CRYSTALLIZATION IN A DISPERSION KODAK LIMITED (GB) 1993-07-14 EP disclosed
EP-0548062-A1 Method for assessing crystallization values in an emulsion EASTMAN KODAK COMPANY (US) 1993-06-23 EP disclosed
WO-1992006411-A1 METHOD FOR REDUCING CRYSTALLIZATION IN A DISPERSION EASTMAN KODAK COMPANY (US) 1992-04-16 WO disclosed