SCHEMBL4756920

SCHEMBL4756920

Cc1cc(C=O)cc(C(=O)NCCO)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA3 P07451 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA13 Q8N1Q1 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
SRC P12931 1/20 0.36
GPR52 Q9Y2T5 2/20 0.36
MEN1 O00255 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
SCHEMBL4755030 0.86 HPGD (0.43) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4757889 0.82 CA12 (0.46) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4790131 0.82 DNM1 (0.43) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4757728 0.76 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL1984171 0.74 HMGB1 (0.55) KDM4EALDH1A1MAPTSRCMEN1
SCHEMBL8980587 0.73 ALDH1A1 (0.55) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL3308517 0.73 ALDH1A1 (0.44) KDM4EALDH1A1MAPTCA12CA1
SCHEMBL9774858 0.73 MMP13 (0.49) KDM4EALDH1A1MAPTCASP1CASP7
SCHEMBL4755669 0.73 CYP2C9 (0.43) MAPTSRCCYP1A2CYP3A4CYP2D6
SCHEMBL8980567 0.71 ALDH1A1 (0.61) KDM4EALDH1A1MAPTCASP1CASP7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed