SCHEMBL9825541

SCHEMBL9825541

COc1cc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC2CC(Cl)=NO2)ccc1O

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 10/20 0.64
CTSB P07858 3/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 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
SCHEMBL9825566 0.91 TGM2 (0.77) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825280 0.91 TGM2 (0.69) TGM2CTSBCTSLCTSSCTSK
SCHEMBL4933717 0.88 TGM2 (0.62) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825926 0.88 TGM2 (0.69) TGM2CTSBCTSLCTSSCTSK
SCHEMBL4929775 0.88 TGM2 (0.68) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9826613 0.88 TGM2 (0.68) TGM2CTSBCTSLCTSSCTSK
SCHEMBL4937443 0.88 TGM2 (0.82) TGM2CTSBCTSLCTSSCTSK
SCHEMBL4936394 0.88 TGM2 (0.75) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825343 0.88 TGM2 (0.75) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9826600 0.87 TGM2 (0.61) TGM2CTSBCTSLCTSSCTSK

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
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-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