SCHEMBL7834153

SCHEMBL7834153

CC(C)(NC(=O)c1ccc(C#N)cc1)C(C=Cc1ccccc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.45
CTSG P08311 4/20 0.45
CTRB1 P17538 4/20 0.45
CMA1 P23946 4/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.40
EPHX2 P34913 2/20 0.39
SIGMAR1 Q99720 2/20 0.38
TMEM97 Q5BJF2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
S1PR4 O95977 1/20 0.38
S1PR3 Q99500 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EGFR P00533 1/20 0.37

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
SCHEMBL7826213 0.79 KDM4E (0.41) PRSS1CTSGCTRB1CMA1SIGMAR1
SCHEMBL7834156 0.77 CTSG (0.56) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7825860 0.77 PRSS1 (0.58) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL7835765 0.76 MEN1 (0.49) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7837405 0.74 MEN1 (0.47) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7837709 0.73 EPHX2 (0.47) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7837208 0.71 CTSG (0.47) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7825622 0.71 NPC1 (0.46) PRSS1CTSGCTRB1CMA1ALDH1A1
SCHEMBL7826105 0.70 MEN1 (0.52) PRSS1CTSGCTRB1CMA1EPHX2
SCHEMBL507273 0.70 EPHX2 (0.55) PRSS1CTSGCTRB1CMA1ALDH1A1

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