SCHEMBL9825647

SCHEMBL9825647

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

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
ATM Q13315 2/20 0.43
TGM2 P21980 2/20 0.42
PTPN1 P18031 4/20 0.40
CDC25B P30305 4/20 0.40
PTPN2 P17706 2/20 0.40
CDC25A P30304 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.38
CTSS P25774 1/20 0.38
SYK P43405 1/20 0.38
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL4934723 0.87 TGM2 (0.55) KMT2AMEN1ATMTGM2PTPN1
SCHEMBL5362012 0.87 TGM2 (0.55) KMT2AMEN1ATMTGM2PTPN1
SCHEMBL9825717 0.86 KMT2A (0.45) KMT2AMEN1ATMTGM2PTPN1
SCHEMBL9825394 0.86 KMT2A (0.44) KMT2AMEN1ATMTGM2PTPN1
SCHEMBL9825801 0.84 TGM2 (0.55) ALDH1A1KMT2AATMTGM2CTSS
SCHEMBL9826129 0.83 CTSL (0.54) KMT2AMEN1ATMTGM2CYP1A2
SCHEMBL9825735 0.82 CTSL (0.56) KMT2AMEN1ATMTGM2CYP1A2
SCHEMBL9825276 0.79 TGM2 (0.54) ATMTGM2CYP1A2CTSS
SCHEMBL9826397 0.77 TGM2 (0.69) TGM2CYP1A2CTSS
SCHEMBL9825336 0.77 TGM2 (0.69) TGM2CYP1A2CTSS

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