SCHEMBL9950640

SCHEMBL9950640

Cc1cc(Cc2cc(C)cc(C(C)(C)C)c2O)cc(Cc2cc(C)cc(C(C)(C)C)c2O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 2/20 0.79
CYP2C9 P11712 5/20 0.77
CYP2C19 P33261 5/20 0.77
HIF1A Q16665 5/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
CYP2D6 P10635 3/20 0.68
HSD17B10 Q99714 1/20 0.68
ALDH1A1 P00352 5/20 0.59
CA2 P00918 2/20 0.59
POLB P06746 1/20 0.59
TYR P14679 1/20 0.59
DHFR P00374 1/20 0.43
TP53 P04637 2/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CA1 P00915 1/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 2/20 0.41
AMY1A P0DUB6 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL12309158 0.96 HSPA5 (0.79) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8772330 0.93 HSPA5 (0.79) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL684302 0.92 HSPA5 (0.72) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29351672 0.89 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29415372 0.89 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL34162 0.89 HSPA5 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL8047562 0.88 HSPA5 (0.83) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL12309155 0.88 HSPA5 (0.66) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL11247674 0.87 CYP2C9 (1.00) HSPA5CYP2C9CYP2C19HIF1ASMN1; SMN2
SCHEMBL29410654 0.87 HSPA5 (0.96) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2607464-B1 EXTREME PRESSURE AGENT FOR LUBRICANT OIL, AND LUBRICANT OIL COMPOSITION CONTAINING SAME ADEKA CORP (JP) 2018-02-21 EP disclosed
EP-2607464-A1 EXTREME PRESSURE AGENT FOR LUBRICANT OIL, AND LUBRICANT OIL COMPOSITION CONTAINING SAME Adeka Corporation (JP) 2013-06-26 EP disclosed
US-20130150274-A1 EXTREME PRESSURE AGENT FOR LUBRICANT OIL AND LUBRICANT OIL COMPOSITION CONTAINING SAME ADEKA CORPORATION (JP) 2013-06-13 US disclosed
US-20120164413-A1 Inorganic Particle Composite Body and Method for Producing Inorganic Particle Composite Body SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 US disclosed