SCHEMBL9825261

SCHEMBL9825261

CCSC1=NOC(CN(C(=O)OCc2ccccc2)C(=O)c2cc(O)ccc2C[C@H](N)C(=O)O)C1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.34
ITGA2B P08514 1/20 0.34
TGM2 P21980 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
PPARG P37231 5/20 0.32
PPARA Q07869 3/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL9827314 0.89 SLC7A5 (0.38) ITGB3ITGA2BTGM2PPARGPPARA
SCHEMBL4933034 0.87 TGM2 (0.44) ITGB3ITGA2BTGM2KMT2AMEN1
SCHEMBL9825852 0.87 ITGB3 (0.35) ITGB3ITGA2BTGM2KMT2AMEN1
SCHEMBL4656570 0.87 TGM2 (0.35) ITGB3ITGA2BTGM2KMT2AMEN1
SCHEMBL4934179 0.75 TGM2 (0.45) TGM2KDM4EADORA3ALOX15HTR2A
SCHEMBL9825827 0.75 SLC7A5 (0.39) ITGB3ITGA2BTGM2PPARGPPARA
SCHEMBL4929784 0.75 SLC7A5 (0.40) ITGB3ITGA2BTGM2KDM4EADORA3
SCHEMBL10417837 0.70 ITGB3 (0.38) ITGB3ITGA2BMMEACEECE1
SCHEMBL9826404 0.70 TGM2 (0.44) ITGB3ITGA2BTGM2PPARACYP3A4
SCHEMBL9825615 0.69 TGM2 (0.44) ITGB3ITGA2BTGM2PPARAALDH1A1

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