SCHEMBL9826320

SCHEMBL9826320

COc1cc(C[C@H](N)C(=O)N(CC2CC(Br)=NO2)C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.43
MARS1 P56192 1/20 0.39
MIF P14174 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
IARS1 P41252 1/20 0.38
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
TPH1 P17752 2/20 0.36
FOS P01100 1/20 0.34
TTR P02766 1/20 0.34
JUN P05412 1/20 0.34

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
SCHEMBL4934162 0.92 TGM2 (0.42) TGM2MARS1MIFTRPV1IARS1
SCHEMBL4934794 0.90 TGM2 (0.40) TGM2TSHRTPH1
SCHEMBL9825692 0.88 TGM2 (0.46) TGM2MIFTPH1
SCHEMBL4934061 0.87 TGM2 (0.49) TGM2
SCHEMBL4934993 0.87 TGM2 (0.49) TGM2
SCHEMBL9825676 0.87 TGM2 (0.47) TGM2TSHR
SCHEMBL4950332 0.84 TGM2 (0.47) TGM2TSHR
SCHEMBL4934179 0.84 TGM2 (0.45) TGM2TPH1
SCHEMBL9825095 0.81 TGM2 (0.37) TGM2
SCHEMBL9826384 0.81 TGM2 (0.37) TGM2

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