SCHEMBL9129252

SCHEMBL9129252

CCOC(=O)CCCCCCCCCc1cc(O)ccc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.56
CYP4A11 Q02928 1/20 0.56
EGFR P00533 3/20 0.51
NR4A1 P22736 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
CA14 Q9ULX7 2/20 0.48
CNR2 P34972 4/20 0.47
CYP3A4 P08684 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TP53 P04637 2/20 0.45
ALOX15 P16050 2/20 0.45
MEN1 O00255 1/20 0.45

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
SCHEMBL490901 0.88 EGFR (0.56) CYP4F2CYP4A11EGFRCA12CA1
SCHEMBL9129463 0.85 HPGD (0.52) EGFRCA12CA1CA2CA7
SCHEMBL9121505 0.82 CYP4Z1 (0.53) CYP4F2CYP4A11CYP3A4CYP1A2CYP2C9
SCHEMBL3925096 0.81 CYP4F2 (0.52) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL1859513 0.81 CYP4F2 (0.78) CYP4F2CYP4A11CA12CA1CA2
SCHEMBL10602853 0.80 TP53 (0.47) EGFRCNR2CYP3A4CYP1A2CYP2C9
SCHEMBL3840098 0.80 F13A1 (0.59) EGFRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL4148828 0.80 F13A1 (0.59) EGFRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3838231 0.80 F13A1 (0.59) EGFRCYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL2381980 0.80 F13A1 (0.59) EGFRCYP3A4CYP1A2CYP2C9CYP2C19

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
US-5449518-A Bleaching, decoloring skin L'OREAL (FR) 1995-09-12 US claimed
US-5449518-A Bleaching, decoloring skin L'OREAL (FR) 1995-09-12 US disclosed