SCHEMBL7602114

SCHEMBL7602114

CC(C)CC(CP(=O)(O)CNC(=O)c1ccccc1)C(=O)N(c1ccc(-c2cccnc2)cc1)[C@@H](C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
PPARG P37231 1/20 0.40
PTAFR P25105 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
GPR88 Q9GZN0 1/20 0.39
NAMPT P43490 1/20 0.38

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) CTSLCTSBCTSSHSD17B10
SCHEMBL7607450 0.91 HSD17B10 (0.40) CTSLCTSBCTSSPPARGHSD17B10
SCHEMBL7598458 0.90 HSD17B10 (0.42) HSD17B10NAMPT
SCHEMBL7598954 0.90 HSD17B10 (0.54) HSD17B10
SCHEMBL7599751 0.86 HSD17B10 (0.47) CTSLCTSBCTSSHSD17B10
SCHEMBL7598837 0.84 HSD17B10 (0.39) CTSLCTSBCTSSHSD17B10
SCHEMBL7601877 0.84 HSD17B10 (0.44) CTSLHSD17B10
SCHEMBL8642472 0.82 MMP3 (0.51) HSD17B10
SCHEMBL7598935 0.82 HSD17B10 (0.40) HSD17B10
SCHEMBL7600024 0.81 HSD17B10 (0.58) HSD17B10

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