SCHEMBL7202043

SCHEMBL7202043

CCOC(=O)C(C(=O)OCC)c1c(C(=O)c2cccc(F)c2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 8/20 0.48
ALOX15 P16050 9/20 0.47
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL7202561 0.92 ALOX15 (0.50) MDM2ALOX15
SCHEMBL7206121 0.90 ALOX15 (0.48) MDM2ALOX15
SCHEMBL7205778 0.89 ALOX15 (0.47) MDM2ALOX15
SCHEMBL7206116 0.89 ALOX15 (0.54) MDM2ALOX15
SCHEMBL7205430 0.89 ALOX15 (0.53) MDM2ALOX15ALDH1A1CYP1A2HPGD
Water SCHEMBL27532088 0.88 ALOX15 (0.52) MDM2ALOX15ALDH1A1CYP1A2HPGD
SCHEMBL7203969 0.87 ALOX15 (0.44) MDM2ALOX15
SCHEMBL7203970 0.86 ALOX15 (0.53) ALOX15
SCHEMBL7205567 0.86 ALDH1A1 (0.42) MDM2ALOX15ALDH1A1CYP1A2HPGD
SCHEMBL7203961 0.85 ALDH1A1 (0.50) ALOX15ALDH1A1CYP1A2HPGDXBP1

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