SCHEMBL9318980

SCHEMBL9318980

CCCCCCCCCCC(Sc1c(C)cc(C)cc1OCCCC(=O)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 14/20 0.45
ALOX5 P09917 12/20 0.45
PPARA Q07869 10/20 0.45
PTGES O14684 10/20 0.45
TSHR P16473 1/20 0.45
CYSLTR2 Q9NS75 3/20 0.41
CYSLTR1 Q9Y271 3/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL9318883 0.77 PPARG (0.52) PPARGALOX5PPARAPTGESCYSLTR2
SCHEMBL7795191 0.69 ALDH1A1 (0.66) TSHR
SCHEMBL9319067 0.69 PPARG (0.43) PPARGALOX5PPARAPTGESCYSLTR2
SCHEMBL8159673 0.68 TSHR (0.47) PPARGPPARATSHR
SCHEMBL8164075 0.68 TSHR (0.59) PPARATSHRCYSLTR2CYSLTR1THRA
SCHEMBL2859507 0.65 GPR84 (0.57) PPARGPPARATSHRTHRATHRB
SCHEMBL14155758 0.65 ALOX5 (0.57) PPARGALOX5PPARAPTGES
SCHEMBL28064406 0.65 FFAR4 (0.50) PPARGPPARATSHRCYSLTR2CYSLTR1
SCHEMBL9099026 0.64 PPARG (0.64) PPARGALOX5PPARAPTGES
SCHEMBL9099036 0.64 PPARG (0.64) PPARGALOX5PPARAPTGES

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