SCHEMBL7304292

SCHEMBL7304292

COC(=O)c1ccc(NC(=O)N[C@H](C(=O)OCc2ccccc2)C(C)C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
CYP3A4 P08684 4/20 0.51
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.49
CTSB P07858 1/20 0.49
CTSK P43235 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
TP53 P04637 1/20 0.48
NAMPT P43490 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL7309843 0.81 FPR2 (0.67) KMT2AMEN1CYP2C9CYP2C19RAB9A
SCHEMBL7305276 0.79 ELANE (0.56) CYP3A4ALDH1A1TSHRLMNA
SCHEMBL12348789 0.79 RAB9A (0.65) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL7304298 0.78 MEN1 (0.46) KMT2AMEN1CYP2C9CYP2C19RAB9A
SCHEMBL12516497 0.77 ERAP2 (0.57) KMT2AMEN1ALDH1A1CTSBCTSK
SCHEMBL7039657 0.76 RAB9A (0.69) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL20442278 0.76 KMT2A (0.72) KMT2AMEN1RAB9ANPC1GAA
SCHEMBL21274443 0.76 ERAP2 (0.56) KMT2AMEN1ALDH1A1CTSBCTSK
SCHEMBL21274440 0.76 ERAP2 (0.56) KMT2AMEN1ALDH1A1CTSBCTSK
SCHEMBL22388846 0.75 KMT2A (0.76) KMT2AMEN1RAB9ANPC1GAA

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