SCHEMBL9825926

SCHEMBL9825926

COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Cl)=NO2)cc1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 8/20 0.69
CTSL P07711 4/20 0.51
CTSS P25774 4/20 0.51
CTSB P07858 3/20 0.51
CTSK P43235 3/20 0.51
HDAC8 Q9BY41 1/20 0.51
F2 P00734 1/20 0.49

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
SCHEMBL9825343 0.93 TGM2 (0.75) TGM2CTSLCTSSCTSBCTSK
SCHEMBL4936394 0.93 TGM2 (0.75) TGM2CTSLCTSSCTSBCTSK
SCHEMBL4933717 0.92 TGM2 (0.62) TGM2CTSLCTSSCTSBCTSK
SCHEMBL4935845 0.91 TGM2 (0.73) TGM2CTSLCTSSCTSBCTSK
SCHEMBL4937443 0.91 TGM2 (0.82) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825778 0.91 TGM2 (0.84) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825687 0.91 TGM2 (0.84) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825959 0.88 TGM2 (0.66) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825571 0.88 TGM2 (0.66) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825541 0.88 TGM2 (0.64) TGM2CTSLCTSSCTSBCTSK

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 6 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 claimed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP claimed
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
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed