SCHEMBL9825276

SCHEMBL9825276

CCSC1=NOC(CNC(=O)[C@@H](NC(=O)OCc2ccccc2)C(Cc2ccccc2)C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 7/20 0.54
CYP1A2 P05177 1/20 0.45
CTSL P07711 3/20 0.42
CTSS P25774 3/20 0.42
CTSB P07858 3/20 0.42
MME P08473 1/20 0.42
ACE P12821 1/20 0.42
ECE1 P42892 1/20 0.42
ITGB3 P05106 3/20 0.40
ITGAV P06756 3/20 0.40
CASP1 P29466 1/20 0.40
CASP3 P42574 1/20 0.40
CASP7 P55210 1/20 0.40
CASP6 P55212 1/20 0.40
CASP8 Q14790 1/20 0.40
CTSK P43235 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL9826129 0.89 CTSL (0.54) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9825735 0.88 CTSL (0.56) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9825336 0.88 TGM2 (0.69) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9826397 0.88 TGM2 (0.69) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9825235 0.86 TGM2 (0.71) TGM2CYP1A2CTSLCTSSMME
SCHEMBL9826110 0.85 TGM2 (0.56) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9825509 0.85 TGM2 (0.58) TGM2CYP1A2CTSLCTSSMME
SCHEMBL9825517 0.85 TGM2 (0.75) TGM2CTSLCTSSCTSBCTSK
SCHEMBL9825943 0.84 TGM2 (0.59) TGM2CYP1A2CTSLCTSSCTSB
SCHEMBL9826986 0.84 TGM2 (0.66) 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 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