SCHEMBL7836337

SCHEMBL7836337

CC(C)(C(=O)O)C(CC1CCCCC1)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 5/20 0.50
CTSS P25774 4/20 0.50
CTSK P43235 2/20 0.50
CTSB P07858 1/20 0.50
CTSG P08311 6/20 0.49
CMA1 P23946 5/20 0.49
PRSS1 P07477 4/20 0.49
CTRB1 P17538 4/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GRN P28799 1/20 0.41
SORT1 Q99523 1/20 0.41
HTRA1 Q92743 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP12 P39900 1/20 0.41

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
SCHEMBL7837711 0.81 CTSG (0.57) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837210 0.79 CTSG (0.60) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7836334 0.78 NPC1 (0.49) CTSLCTSSCTSKCTSBCTSG
SCHEMBL7835603 0.77 CTSG (0.63) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7825623 0.76 CTSG (0.61) CTSGCMA1PRSS1CTRB1NPC1
SCHEMBL7826784 0.76 CTSG (0.64) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837132 0.75 CTSG (0.82) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7835767 0.74 PRSS1 (0.56) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL7837407 0.72 PRSS1 (0.54) CTSGCMA1PRSS1CTRB1MEN1
SCHEMBL5529603 0.70 CTSL (0.80) CTSLCTSSCTSKCTSB

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-0800516-B1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED (b)-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORP (JP) 2001-09-19 EP disclosed
US-5866592-A Fibrinogen receptor antagonist and pharmaceutical compositions comprising the same NIPPON STEEL CORPORATION (JP) 1999-02-02 US disclosed