SCHEMBL7598458

SCHEMBL7598458

CC(C)CC(CP(=O)(O)CNC(=O)c1ccccc1)C(=O)N(c1cccnc1)[C@@H](C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
MMP1 P03956 1/20 0.38
MMP3 P08254 2/20 0.38
MMP2 P08253 1/20 0.38
NAMPT P43490 3/20 0.37
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
EPHX2 P34913 2/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7602114 0.90 CTSV (0.40) HSD17B10NAMPT
SCHEMBL7599751 0.90 HSD17B10 (0.47) HSD17B10MMP1MMP3MMP2
SCHEMBL7602207 0.89 HSD17B10 (0.58) HSD17B10MMP1MMP3
SCHEMBL7607450 0.85 HSD17B10 (0.40) HSD17B10SMN1; SMN2NPC1RAB9AMMP1
SCHEMBL8641490 0.85 HSD17B10 (0.45) HSD17B10SMN1; SMN2NPC1RAB9AMMP1
SCHEMBL7601877 0.84 HSD17B10 (0.44) HSD17B10NPC1RAB9AMMP1MMP3
SCHEMBL7598806 0.82 HSD17B10 (0.43) HSD17B10MMP1MMP3MMP2
SCHEMBL7598837 0.81 HSD17B10 (0.39) HSD17B10MMP1MMP3MMP2
SCHEMBL7598954 0.80 HSD17B10 (0.54) HSD17B10MMP1MMP3
SCHEMBL7598935 0.79 HSD17B10 (0.40) HSD17B10MMP1MMP3MMP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832085-B1 PHOSPHINIC ACID DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2002-12-18 EP disclosed
US-5716943-A CARDIOVASCULAR DISORDERS ZAMBON GROUP. S.P.A. (IT) 1998-02-10 US disclosed