SCHEMBL9711024

SCHEMBL9711024

COCc1ccc2c(c1)C(CC(=O)O)=CC2=Cc1ccc([S+](C)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.53
PTGS1 P23219 2/20 0.48
RXRA P19793 2/20 0.48

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
SCHEMBL4548508 0.83 PPARG (0.73) PPARGPTGS1RXRA
SCHEMBL9711027 0.82 PPARG (0.33) PPARGPTGS1
SCHEMBL9621642 0.81 PPARG (0.54) PPARGPTGS1RXRA
SCHEMBL27729340 0.73 PPARG (0.53) PPARGPTGS1RXRA
SCHEMBL5653947 0.71 PPARG (0.42) PPARGPTGS1RXRA
SCHEMBL5653943 0.71 PPARG (0.42) PPARGPTGS1RXRA
SCHEMBL4548560 0.71 PPARG (0.56) PPARGPTGS1RXRA
SCHEMBL4548513 0.70 PPARG (0.78) PPARGPTGS1RXRA
SCHEMBL2541623 0.70 RXRA (0.41) PPARGPTGS1RXRA
SCHEMBL4548522 0.70 PPARG (1.00) PPARGPTGS1RXRA

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-0485172-A2 Esters and amides of substituted indenyl acetic acids FGN, INC. (US) 1992-05-13 EP disclosed