SCHEMBL4659431

SCHEMBL4659431

Cc1ccc(CC(=O)CNC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HPGD P15428 4/20 0.50
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CTBP2 P56545 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
VNN1 O95497 1/20 0.44
MAPT P10636 1/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4582402 0.84 CES1 (0.52) L3MBTL1TDP1HPGDKMT2AMEN1
SCHEMBL7965958 0.83 RAB9A (0.51) TDP1KMT2ASMN1; SMN2CTBP2RAB9A
SCHEMBL4659306 0.83 KMT2A (0.50) L3MBTL1TDP1HPGDKMT2AMEN1
SCHEMBL4660490 0.82 HTT (0.57) KMT2ASMN1; SMN2CTBP2RAB9ANPC1
SCHEMBL4768501 0.82 NR1H4 (0.54) SMN1; SMN2RAB9ALMNAALDH1A1MAPT
SCHEMBL4940818 0.81 L3MBTL1 (0.62) L3MBTL1TDP1HPGDKMT2AMEN1
SCHEMBL7114566 0.80 L3MBTL1 (0.58) L3MBTL1TDP1HPGDKMT2AMEN1
SCHEMBL4659414 0.79 CTBP2 (0.54) L3MBTL1HPGDKMT2AMEN1CTBP2
SCHEMBL1294752 0.79 TDP1 (0.46) L3MBTL1TDP1HPGDKMT2AMEN1
SCHEMBL11219229 0.78 L3MBTL1 (0.76) L3MBTL1TDP1KMT2AMEN1SMN1; SMN2

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-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 EP disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 WO disclosed