SCHEMBL7309843

SCHEMBL7309843

COC(=O)c1ccc(NC(=O)N[C@H](C(=O)O)C(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.67
MEN1 O00255 6/20 0.62
KMT2A Q03164 6/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
MAPT P10636 4/20 0.60
GAA P10253 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.55
MAPK1 P28482 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 1/20 0.55
KDM4E B2RXH2 1/20 0.55
ATM Q13315 1/20 0.53
HPGD P15428 1/20 0.53
STAT3 P40763 1/20 0.50
DGAT1 O75907 1/20 0.50

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
SCHEMBL20335080 0.81 FPR2 (0.74) FPR2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL20335078 0.81 FPR2 (0.74) FPR2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL7304292 0.81 KMT2A (0.57) MEN1KMT2ACYP2C9CYP2C19MAPT
SCHEMBL10795899 0.81 FPR2 (0.73) FPR2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL20335126 0.81 FPR2 (0.73) FPR2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL16024649 0.80 FPR2 (0.72) FPR2MEN1KMT2ACYP2C9CYP2C19
SCHEMBL22506222 0.80 FPR2 (1.00) FPR2MEN1KMT2AMAPTGAA
SCHEMBL16009024 0.80 FPR2 (1.00) FPR2MEN1KMT2AMAPTGAA
SCHEMBL4112603 0.76 MEN1 (0.75) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4110308 0.75 MAPT (0.68) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-0494071-B1 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1997-04-16 EP disclosed
US-5430025-A Elastase-inhibiting peptides bearing a C-terminal trifluoromethylketone moiety FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5296591-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0494071-A2 Trifluoromethylketone tripeptide derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-08 EP disclosed