SCHEMBL9129463

SCHEMBL9129463

COC(=O)CCCCCCCCCCc1cc(O)ccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
ALOX15 P16050 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX12 P18054 1/20 0.52
CYP2C19 P33261 1/20 0.52
CKS1B P61024 1/20 0.52
SKP2 Q13309 1/20 0.52
HIF1A Q16665 1/20 0.52
HSD17B10 Q99714 1/20 0.52
EGFR P00533 6/20 0.50
HKDC1 Q2TB90 1/20 0.45
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
MEN1 O00255 1/20 0.44
ALOX5 P09917 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL9128626 0.94 ALDH1A1 (0.55) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL4418335 0.86 TYR (0.57) TP53CYP3A4ALOX15MEN1ALOX5
SCHEMBL9129252 0.85 CYP4F2 (0.56) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL27810348 0.84 HPGD (0.42) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL10602853 0.83 TP53 (0.47) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL8764365 0.83 TYR (0.59) TP53CYP3A4ALOX15MEN1ALOX5
SCHEMBL3838231 0.82 F13A1 (0.59) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL2381980 0.82 F13A1 (0.59) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL4148828 0.82 F13A1 (0.59) HPGDTP53CYP3A4ALOX15ALDH1A1
SCHEMBL3840098 0.82 F13A1 (0.59) HPGDTP53CYP3A4ALOX15ALDH1A1

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