SCHEMBL7835566

SCHEMBL7835566

CC(C)(NC(=O)c1ccc(C#N)cc1)C(C(=O)O)c1ccoc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 5/20 0.45
CTSG P08311 5/20 0.45
CTRB1 P17538 5/20 0.45
CMA1 P23946 5/20 0.45
EPHX2 P34913 2/20 0.39
ALDH1A1 P00352 1/20 0.39
PKM P14618 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 0.37
MLYCD O95822 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
S1PR4 O95977 2/20 0.35
S1PR3 Q99500 2/20 0.35
PPARA Q07869 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL7825860 0.84 PRSS1 (0.58) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7838715 0.81 PRSS1 (0.46) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7837285 0.81 EPHX2 (0.55) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7836194 0.79 PRSS1 (0.47) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7826105 0.77 MEN1 (0.52) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7836737 0.77 PRSS1 (0.48) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7834781 0.77 SIGMAR1 (0.37) PRSS1CTSGCTRB1CMA1
SCHEMBL7835567 0.77 CTSG (0.58) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7835765 0.76 MEN1 (0.49) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7837405 0.74 MEN1 (0.47) PRSS1CTSGCTRB1CMA1EPHX2

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