SCHEMBL6561480

SCHEMBL6561480

NC(CC(=O)O)c1ccc2c(c1)CCO2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.55
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
PRKCI P41743 1/20 0.44
ACACB O00763 1/20 0.43
TAS1R3 Q7RTX0 3/20 0.42
TAS1R1 Q7RTX1 3/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KEAP1 Q14145 1/20 0.40

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
SCHEMBL3886831 0.92 CTNNB1 (0.49) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL20140743 0.89 FFAR1 (0.46) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7100421 0.84 PTGS1 (0.56) NPC1POLBRAB9APKMCTNNB1
SCHEMBL4179129 0.84 PTGS1 (0.56) NPC1POLBRAB9APKMCTNNB1
SCHEMBL9429491 0.82 HDAC3 (0.52) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL8499314 0.82 HDAC3 (0.48) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL11236632 0.81 HDAC3 (0.58) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1570586 0.81 FFAR1 (0.56) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15872489 0.80 FFAR1 (0.52) FFAR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL15872486 0.80 FFAR1 (0.52) FFAR1HDAC3HDAC4HDAC1HDAC7

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