SCHEMBL7309853

SCHEMBL7309853

COC(=O)CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
FPR2 P25090 4/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ATM Q13315 1/20 0.54
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 2/20 0.47
GAA P10253 2/20 0.47
EPHX2 P34913 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL7304298 0.85 MEN1 (0.46) CYP2C9CYP2C19FPR2MEN1KMT2A
SCHEMBL20335126 0.79 FPR2 (0.73) CYP2C9CYP2C19FPR2MEN1KMT2A
SCHEMBL10795899 0.79 FPR2 (0.73) CYP2C9CYP2C19FPR2MEN1KMT2A
SCHEMBL11569906 0.73 MME (0.56) MEN1KMT2AATMMAPK1LMNA
SCHEMBL9390024 0.72 HSD17B10 (0.54) CYP2C9CYP2C19FPR2MEN1KMT2A
SCHEMBL9056827 0.72 HSD17B10 (0.66) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL6374964 0.72 HSD17B10 (0.66) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL15971313 0.72 HSD17B10 (0.66) MEN1KMT2AMAPK1HSD17B10LMNA
SCHEMBL14467852 0.72 HSD17B10 (0.57) MEN1KMT2AMAPK1HSD17B10EPHX2
Benzene SCHEMBL11580862 0.71 HSD17B10 (0.70) MEN1KMT2AHSD17B10GAAEPHX2

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