SCHEMBL6645281

SCHEMBL6645281

NC1(OC(=O)O)CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.52
MAOB P27338 3/20 0.47
MAOA P21397 1/20 0.47
MEN1 O00255 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HSP90AB1 P08238 1/20 0.45
LTA4H P09960 1/20 0.45
PLA2G2A P14555 1/20 0.45
KMT2A Q03164 1/20 0.45
CTSV O60911 3/20 0.43
CTSL P07711 3/20 0.43
NSD2 O96028 1/20 0.43
AS3MT Q9HBK9 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
SRD5A2 P31213 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
SCHEMBL5881078 0.87 MAPKAPK2 (0.52) MAPKAPK2MAOBMAOAMEN1HSP90AA1
SCHEMBL6610802 0.83 BAZ2B (0.52) MAPKAPK2HSD17B10CYP1A2CYP2C9LMNA
SCHEMBL4969326 0.80 MAPT (0.43) KDM4EHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL8316102 0.76 MAPKAPK2 (0.55) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL8316089 0.76 MAPKAPK2 (0.55) MAPKAPK2MAOBMAOAMEN1KMT2A
SCHEMBL7666158 0.74 MAPKAPK2 (0.59) MAPKAPK2MAOBMAOACTSVCTSL
SCHEMBL8228026 0.74 BAZ2B (0.57) MAPKAPK2KDM4EHPGDHSD17B10ALDH1A1
SCHEMBL25634129 0.74 MCHR1 (0.61) MAPKAPK2MAOBMAOAKMT2ACTSV
SCHEMBL31153237 0.74 MCHR1 (0.61) MAPKAPK2MAOBMAOAKMT2ACTSV
SCHEMBL2978779 0.73 LMNA (0.63) MAPKAPK2MAOBMAOAKMT2ACTSV

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-1453803-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) Zentaris GmbH (DE) 2004-09-08 EP claimed
WO-2003051837-A2 TETRAHYDROCARBOZOLE DERIVATIVES AS LIGANDS FOR G-PROTEIN COUPLED RECEPTORS (GPCR) ZENTARIS GMBH (DE) 2003-06-26 WO claimed