SCHEMBL9318912

SCHEMBL9318912

CCCCCCCCCCC(Oc1ccccc1SCCCCCC(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.59
CYSLTR2 Q9NS75 5/20 0.53
CYSLTR1 Q9Y271 5/20 0.53
CTRC Q99895 1/20 0.42
PLA2G4B P0C869 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 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 0.97 PTGS2 (0.54) PTGS2CYSLTR2CYSLTR1CTRCPLA2G4B
SCHEMBL9318032 0.93 CYSLTR2 (0.52) PTGS2CYSLTR2CYSLTR1CTRCPLA2G4B
SCHEMBL30639267 0.80 CTRC (0.54) CTRCFFAR1
SCHEMBL9318310 0.80 CYSLTR2 (0.51) CYSLTR2CYSLTR1CTRCPLA2G4B
Sebacic Acid SCHEMBL151731 0.80 CTRC (0.58) CTRCFFAR4FFAR1
SCHEMBL9318966 0.79 CTRC (0.43) PTGS2CYSLTR2CYSLTR1CTRC
SCHEMBL9318525 0.78 CTRC (0.46) CYSLTR2CYSLTR1CTRCPLA2G4BFFAR4
SCHEMBL9319017 0.78 CTRC (0.42) PTGS2CYSLTR2CYSLTR1CTRC
SCHEMBL4410750 0.77 PTGS2 (0.75) PTGS2CYSLTR2CYSLTR1
SCHEMBL4273970 0.77 PTGS2 (0.75) PTGS2CYSLTR2CYSLTR1

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