SCHEMBL6562472

SCHEMBL6562472

Cc1ccc(C(N)CC(=O)O)c2cc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.37
P2RX7 Q99572 1/20 0.35

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
SCHEMBL17746917 0.78 BRPF1 (0.50)
SCHEMBL6563314 0.75 MCL1 (0.40)
SCHEMBL6562476 0.72 TNF (0.46)
SCHEMBL12278113 0.72 GPR55 (0.39) GOT1P2RX7
SCHEMBL28947821 0.72 CYP1A2 (0.44) GOT1P2RX7
SCHEMBL3382822 0.71 MEN1 (0.44)
SCHEMBL2320833 0.71 CTSA (0.47)
SCHEMBL5720952 0.71 CTSA (0.47)
SCHEMBL2320843 0.71 CTSA (0.47)
SCHEMBL3864299 0.70 KMT2A (0.42)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004536071-A 2004-12-02 JP claimed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP claimed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO claimed
EP-1397136-A1 HETEROCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2004-03-17 EP disclosed
WO-2002096424-A1 HETEREOCYCLIC BETA-AMINOACIDS AND THEIR USE AS ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2002-12-05 WO disclosed