SCHEMBL7601877

SCHEMBL7601877

CC(C)CC(CP(=O)(O)CNC(=O)c1ccccc1)C(=O)N(c1ccc(F)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.44
MMP1 P03956 3/20 0.40
CTSL P07711 1/20 0.39
MMP3 P08254 2/20 0.38
MMP2 P08253 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
ACKR3 P25106 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SLC6A9 P48067 1/20 0.36

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
SCHEMBL7599751 0.93 HSD17B10 (0.47) HSD17B10MMP1CTSLMMP3MMP2
SCHEMBL8641490 0.91 HSD17B10 (0.45) HSD17B10MMP1CTSLMMP3MMP2
SCHEMBL7599480 0.88 HSD17B10 (0.61) HSD17B10MMP1MMP3
SCHEMBL7607450 0.85 HSD17B10 (0.40) HSD17B10MMP1CTSLMMP3MMP2
SCHEMBL7598806 0.85 HSD17B10 (0.43) HSD17B10MMP1MMP3MMP2
SCHEMBL7598935 0.85 HSD17B10 (0.40) HSD17B10MMP1MMP3MMP2
SCHEMBL7602114 0.84 CTSV (0.40) HSD17B10CTSL
SCHEMBL7598458 0.84 HSD17B10 (0.42) HSD17B10MMP1MMP3MMP2NPC1
SCHEMBL7598837 0.83 HSD17B10 (0.39) HSD17B10MMP1CTSLMMP3MMP2
SCHEMBL8642472 0.81 MMP3 (0.51) 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