SCHEMBL11041560

SCHEMBL11041560

O=C(O)CSc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.49
TYMP P19971 1/20 0.48
PPARG P37231 5/20 0.47
PPARA Q07869 5/20 0.47
PTGDR2 Q9Y5Y4 7/20 0.46
STK17B O94768 1/20 0.45
MAP3K8 P41279 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL11749416 0.96 PTGDR2 (0.50) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11753193 0.96 PTGDR2 (0.50) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11753168 0.95 PPARD (0.46) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11753504 0.95 PPARD (0.46) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11754318 0.94 PPARD (0.48) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11751668 0.94 PPARD (0.45) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11751302 0.94 PPARD (0.45) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11751327 0.94 PTGDR2 (0.47) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11752962 0.94 PPARD (0.45) PPARDTYMPPPARGPPARAPTGDR2
SCHEMBL11751440 0.94 PPARD (0.45) PPARDTYMPPPARGPPARAPTGDR2

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 5 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 claimed
US-3933840-A ANTIPHLOGISTIC MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-01-20 US claimed
US-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
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