SCHEMBL11752001

SCHEMBL11752001

COc1ccc(-c2sc(SCC(=O)O)nc2-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 8/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
PPARG P37231 8/20 0.57
PPARA Q07869 7/20 0.57
PTGS2 P35354 1/20 0.55
PTGDR2 Q9Y5Y4 2/20 0.54

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
SCHEMBL11754768 1.00 PPARD (0.58) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL10801302 0.96 PPARD (0.61) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL11754185 0.91 PPARD (0.61) PPARDKMT2APPARGPPARAPTGS2
SCHEMBL11754256 0.91 PPARD (0.61) PPARDKMT2APPARGPPARAPTGS2
SCHEMBL11042391 0.90 PTGS2 (0.54) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL11040651 0.87 PPARD (0.56) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL11751372 0.86 PPARD (0.51) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL11754137 0.86 PPARD (0.51) PPARDALDH1A1MAPTPPARGPPARA
SCHEMBL11753338 0.86 PTGS2 (0.48) PPARDMEN1ALDH1A1MAPTKMT2A
SCHEMBL11751179 0.86 PTGS2 (0.48) PPARDMEN1ALDH1A1MAPTKMT2A

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