SCHEMBL8501631

SCHEMBL8501631

Cc1cc(CO)c(O)c(Cc2c(C)c(Cc3cc(C)c(O)c(Cc4cc(C)cc(CO)c4O)c3C)cc(C)c2O)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.46
AMY1A P0DUB6 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSPA5 P11021 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 1/20 0.40
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAOA P21397 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL8587659 1.00 SHBG (0.46) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL7098334 0.90 AMY1A (0.47) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL7094938 0.90 AMY1A (0.47) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL7930652 0.89 AMY1A (0.51) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL8586601 0.88 AMY1A (0.46) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL24970537 0.85 SHBG (0.47) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL12430568 0.85 AMY1A (0.49) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL7529731 0.84 SHBG (0.44) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL7523362 0.84 SHBG (0.44) SHBGAMY1ACYP2C9CYP2C19HIF1A
SCHEMBL1661235 0.83 AMY1A (0.71) AMY1ACYP2C9CYP2C19HIF1ASMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9110758-A None JP disclosed
JP-9110755-A None JP disclosed
US-5866724-A Positive resist composition and photosensitizers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-02-02 US disclosed
JP-H09110755-A DIMETHYLOLATED TETRAPHENOL COMPOUND AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1997-04-28 JP disclosed
JP-H09110758-A HEXANUCLEAR NOVOLAC COMPOUND AND ITS PRODUCTION SUMITOMO CHEM CO LTD 1997-04-28 JP disclosed
EP-0769485-A1 Positive resist composition and photosensitizers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-04-23 EP disclosed