SCHEMBL7607450

SCHEMBL7607450

CC(C)CC(CP(=O)(O)CNC(=O)c1ccccc1)C(=O)N(c1ccc(-c2cncnc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.40
PPARG P37231 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 1/20 0.38
MMP1 P03956 4/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSB P07858 2/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
ADAMTS4 O75173 1/20 0.35
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL8641490 0.92 HSD17B10 (0.45) HSD17B10CTSLCTSSMMP1NPC1
SCHEMBL7602114 0.91 CTSV (0.40) HSD17B10PPARGCTSLCTSSCTSB
SCHEMBL7605750 0.89 HSD17B10 (0.56) HSD17B10MMP1MMP3
SCHEMBL7599751 0.88 HSD17B10 (0.47) HSD17B10CTSLCTSSMMP1CTSB
SCHEMBL7601877 0.85 HSD17B10 (0.44) HSD17B10CTSLMMP1NPC1RAB9A
SCHEMBL7598458 0.85 HSD17B10 (0.42) HSD17B10MMP1NPC1RAB9ASMN1; SMN2
SCHEMBL7598837 0.84 HSD17B10 (0.39) HSD17B10CTSLCTSSMMP1CTSB
SCHEMBL7598935 0.83 HSD17B10 (0.40) HSD17B10MMP1MMP2MMP3
SCHEMBL8642472 0.82 MMP3 (0.51) HSD17B10MMP1MMP2MMP3
SCHEMBL7598954 0.81 HSD17B10 (0.54) HSD17B10MMP1MMP3

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 1 patent. 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