SCHEMBL9318032

SCHEMBL9318032

CCCCCCCCCCC(Oc1ccccc1SCCC(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 8/20 0.52
CYSLTR1 Q9Y271 8/20 0.52
PTGS2 P35354 8/20 0.51
PLA2G4B P0C869 2/20 0.45
CTRC Q99895 1/20 0.43
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL9318284 0.94 PTGS2 (0.54) CYSLTR2CYSLTR1PTGS2PLA2G4BCTRC
SCHEMBL9318912 0.93 PTGS2 (0.59) CYSLTR2CYSLTR1PTGS2PLA2G4BCTRC
SCHEMBL30639267 0.82 CTRC (0.54) CTRCPTGESALOX5PPARG
SCHEMBL9318966 0.81 CTRC (0.43) CYSLTR2CYSLTR1PTGS2CTRCPTGES
SCHEMBL9318310 0.80 CYSLTR2 (0.51) CYSLTR2CYSLTR1PLA2G4BCTRCPTGES
SCHEMBL9318525 0.80 CTRC (0.46) CYSLTR2CYSLTR1PLA2G4BCTRCPTGES
SCHEMBL9319017 0.80 CTRC (0.42) CYSLTR2CYSLTR1PTGS2CTRCPTGES
SCHEMBL568454 0.77 CTRC (0.50) CTRCPTGESALOX5PPARG
SCHEMBL11521450 0.77 KMT2A (0.53) CTRCPTGESALOX5PPARG
SCHEMBL14565994 0.77 CTRC (0.50) CTRCPTGESALOX5PPARG

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
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed