SCHEMBL7202586

SCHEMBL7202586

CCOC(=O)C(C(=O)OCC)c1c(C(=O)c2ccccc2Cl)[nH]c2cc(Cl)ccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 13/20 0.49
TP53 P04637 1/20 0.46
MDM2 Q00987 3/20 0.45
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
CYP2C19 P33261 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
SCHEMBL7202712 0.93 ALOX15 (0.50) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL6172472 0.91 ALOX15 (0.51) ALOX15MDM2
SCHEMBL7205430 0.87 ALOX15 (0.53) ALOX15MDM2ALDH1A1CYP1A2HPGD
Water SCHEMBL27532088 0.86 ALOX15 (0.52) ALOX15MDM2ALDH1A1CYP1A2HPGD
SCHEMBL7203970 0.84 ALOX15 (0.53) ALOX15
SCHEMBL6169599 0.84 RECQL (0.44) ALOX15MDM2HPGD
SCHEMBL7202561 0.84 ALOX15 (0.50) ALOX15MDM2
SCHEMBL7203866 0.83 ALOX15 (0.49) ALOX15MDM2
SCHEMBL7202754 0.83 ALOX15 (0.53) ALOX15
SCHEMBL7206121 0.82 ALOX15 (0.48) ALOX15MDM2

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-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed