SCHEMBL11747669

SCHEMBL11747669

CC(Sc1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)s1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 11/20 0.56
▸ TYMP P19971 1/20 0.50
▸ SLC22A12 Q96S37 1/20 0.47
▸ PPARD Q03181 3/20 0.45
▸ PPARG P37231 3/20 0.45
▸ PTGS2 P35354 3/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL11041567 0.85 PPARD (0.43) PPARAPPARDPPARGPTGS2PTGS1
SCHEMBL11753423 0.84 PPARA (0.49) PPARAPPARDPPARGPTGS2PTGS1
SCHEMBL11041560 0.76 PPARD (0.49) PPARATYMPPPARDPPARGPTGDR2
SCHEMBL11040057 0.75 PTGS2 (0.48) PPARDPTGS2PTGS1PTGDR2KDM4E
SCHEMBL11041561 0.75 PTGDR2 (0.45) PPARDPTGS2PTGS1PTGDR2KDM4E
SCHEMBL11040129 0.74 PPARA (0.58) PPARAPPARDPPARGPTGS2PTGS1
SCHEMBL11751327 0.73 PTGDR2 (0.47) PPARATYMPPPARDPPARGPTGS2
SCHEMBL11755821 0.73 PTGDR2 (0.47) PPARATYMPPPARDPPARGPTGS2
SCHEMBL11754318 0.73 PPARD (0.48) PPARATYMPPPARDPPARGPTGS2
SCHEMBL11753193 0.73 PTGDR2 (0.50) PPARATYMPPPARDPPARGPTGS2

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
Send feedback