SCHEMBL9825796

SCHEMBL9825796

COc1ccccc1C[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1CC(Br)=NO1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 12/20 0.74
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
CTSB P07858 2/20 0.46
CTSL P07711 1/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
CYP1A2 P05177 1/20 0.45
NMBR P28336 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9826600 0.91 TGM2 (0.61) TGM2MAPTLMNACTSBCTSL
SCHEMBL4933025 0.89 TGM2 (0.80) TGM2MAPTLMNACTSBCTSL
SCHEMBL1091157 0.88 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL3015992 0.88 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091121 0.88 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091158 0.88 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL1091124 0.88 TGM2 (0.93) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825687 0.87 TGM2 (0.84) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825778 0.87 TGM2 (0.84) TGM2CTSBCTSLCTSSCTSK
SCHEMBL9825566 0.87 TGM2 (0.77) TGM2MAPTLMNACTSBCTSL

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