SCHEMBL4533603

SCHEMBL4533603

Cc1cc(/C=C/c2ccccc2C)c(O)c(Cc2cc(C)cc(/C=C/c3ccccc3C)c2O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.45
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
ALOX5 P09917 3/20 0.41
HSPA5 P11021 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2D6 P10635 2/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PABPC1 P11940 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL8466904 0.84 ALOX5 (0.50) AMY1APTGS1PTGS2ALOX5HSPA5
SCHEMBL8466901 0.84 ALOX5 (0.50) AMY1APTGS1PTGS2ALOX5HSPA5
SCHEMBL3724308 0.77 PTGS1 (0.41) PTGS1PTGS2ALOX5HIF1ASMN1; SMN2
SCHEMBL3027866 0.75 AMY1A (0.58) AMY1AHSPA5HIF1ACYP2C9CYP2C19
SCHEMBL11820175 0.75 AMY1A (0.58) AMY1AHSPA5HIF1ACYP2C9CYP2C19
SCHEMBL3668133 0.73 ALOX5 (0.50) PTGS1PTGS2ALOX5CYP2C19SMN1; SMN2
SCHEMBL3635692 0.72 AMY1A (0.42) AMY1APTGS1PTGS2ALOX5HSPA5
SCHEMBL1904809 0.72 AMY1A (0.58) AMY1AALOX5HSPA5HIF1ACYP2C9
SCHEMBL1035353 0.72 ALDH1A1 (0.62) PTGS2HIF1ACYP2C19SMN1; SMN2CYP2D6
SCHEMBL1589395 0.72 ALDH1A1 (0.62) PTGS2HIF1ACYP2C19SMN1; SMN2CYP2D6

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-20090011961-A1 Lubricant compositions stabilized with styrenated phenolic antioxidant CROMPTON HOLDING CORPORATION 2009-01-08 US disclosed