SCHEMBL7837709

SCHEMBL7837709

CCC(C(=O)O)C(C)(C)NC(=O)c1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PRSS1 P07477 4/20 0.46
CTSG P08311 4/20 0.46
CTRB1 P17538 4/20 0.46
CMA1 P23946 4/20 0.46
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
MLYCD O95822 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL7837208 0.90 CTSG (0.47) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7835600 0.87 CTSG (0.46) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7826783 0.86 CTSG (0.47) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7835765 0.82 MEN1 (0.49) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7836334 0.81 NPC1 (0.49) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7837405 0.80 MEN1 (0.47) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7825860 0.77 PRSS1 (0.58) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7825622 0.76 NPC1 (0.46) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL507273 0.76 EPHX2 (0.55) EPHX2MEN1KMT2APRSS1CTSG
SCHEMBL7837285 0.74 EPHX2 (0.55) EPHX2MEN1KMT2APRSS1CTSG

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