SCHEMBL11754256

SCHEMBL11754256

COc1ccc(-c2sc(SCC(=O)O)nc2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 7/20 0.61
PPARG P37231 7/20 0.59
PPARA Q07869 7/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.56
PTGS2 P35354 1/20 0.53
POLB P06746 2/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
LMNA P02545 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALOX5 P09917 1/20 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
SCHEMBL11754185 1.00 PPARD (0.61) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL10801302 0.94 PPARD (0.61) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11041560 0.92 PPARD (0.49) PPARDPPARGPPARAPTGDR2POLB
SCHEMBL11754768 0.91 PPARD (0.58) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11752001 0.91 PPARD (0.58) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11754318 0.88 PPARD (0.48) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11749416 0.88 PTGDR2 (0.50) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11753193 0.88 PTGDR2 (0.50) PPARDPPARGPPARAPTGDR2PTGS2
SCHEMBL11753168 0.87 PPARD (0.46) PPARDPPARGPPARAPTGDR2
SCHEMBL11753504 0.87 PPARD (0.46) PPARDPPARGPPARAPTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4051250-A OXAZOLE, THIAZOLE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 US disclosed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US disclosed