SCHEMBL6562476

SCHEMBL6562476

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.46
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
PMP22 Q01453 3/20 0.46
KMT2A Q03164 3/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 2/20 0.46
HIF1A Q16665 2/20 0.46
MPO P05164 1/20 0.46
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 2/20 0.43
NFKB1 P19838 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HTR1A P08908 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
HTR2A P28223 1/20 0.43

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
SCHEMBL2033277 0.79 SOS2 (0.68) TNFMAPTKDM4ELMNABLM
SCHEMBL31369774 0.79 SOS2 (0.68) TNFMAPTKDM4ELMNABLM
SCHEMBL29405720 0.79 SOS2 (0.68) TNFMAPTKDM4ELMNABLM
SCHEMBL10023253 0.79 SOS2 (0.68) TNFMAPTKDM4ELMNABLM
SCHEMBL2033276 0.79 SOS2 (0.68) TNFMAPTKDM4ELMNABLM
SCHEMBL20551251 0.75 KMT2A (0.50) TNFMAPTKDM4ELMNABLM
SCHEMBL20552171 0.75 TNF (0.47) TNFMAPTKDM4ELMNABLM
SCHEMBL20756906 0.74 HTR2A (0.39) MAPTKMT2ANPSR1HTR2ASOS2
SCHEMBL1052199 0.74 MAPT (0.67) TNFMAPTKDM4ELMNABLM
SCHEMBL1052201 0.74 MAPT (0.67) TNFMAPTKDM4ELMNABLM

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