SCHEMBL9318525

SCHEMBL9318525

CCCCCCCCCCC(Oc1ccccc1OC(C)CCC(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.46
ALDH1A1 P00352 1/20 0.44
PPARG P37231 5/20 0.43
CYSLTR2 Q9NS75 3/20 0.43
CYSLTR1 Q9Y271 3/20 0.43
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PPARA Q07869 2/20 0.41
PLA2G4B P0C869 1/20 0.40
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL30639267 0.88 CTRC (0.54) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL9318310 0.85 CYSLTR2 (0.51) CTRCALDH1A1PPARGCYSLTR2CYSLTR1
SCHEMBL11521450 0.83 KMT2A (0.53) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL21253070 0.81 CTRC (0.48) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL14565994 0.80 CTRC (0.50) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL568454 0.80 CTRC (0.50) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL568643 0.80 CTRC (0.50) CTRCALDH1A1PPARGPTGESALOX5
SCHEMBL9318032 0.80 CYSLTR2 (0.52) CTRCPPARGCYSLTR2CYSLTR1PTGES
SCHEMBL19717843 0.79 KDM4E (0.56) CTRCALDH1A1PPARGPTGESALOX5
Sebacic Acid SCHEMBL151731 0.79 CTRC (0.58) CTRCALDH1A1PPARGPTGESALOX5

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