SCHEMBL9825547

SCHEMBL9825547

CCC1=NOC(CN(C(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[C@@H](N)Cc2ccccc2)C1S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
TNF P01375 1/20 0.31
FABP5 Q01469 2/20 0.31
FABP7 O15540 1/20 0.31
CASP3 P42574 1/20 0.30

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
SCHEMBL9826400 0.87 SLC15A1 (0.36) KMT2A
SCHEMBL9825337 0.87 SLC15A1 (0.36) KMT2A
SCHEMBL9825808 0.83 SLC7A5 (0.35)
SCHEMBL9826160 0.81 SLC7A5 (0.38) PPARG
SCHEMBL9825788 0.78 TGM2 (0.39) KMT2AFABP5FABP7
SCHEMBL9826983 0.78 FABP5 (0.35) KMT2ATNFFABP5FABP7
SCHEMBL9827234 0.77 FABP7 (0.35) KMT2AFABP5FABP7CASP3
SCHEMBL9826136 0.77 SLC15A1 (0.33)
SCHEMBL9825737 0.75 SLC15A1 (0.34) KMT2A
SCHEMBL9826252 0.72 SMN1; SMN2 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed