SCHEMBL8091128

SCHEMBL8091128

CCCCCOc1c(OC)ccc(C(=O)O)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.53
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTPN11 Q06124 4/20 0.47
S1PR3 Q99500 1/20 0.47
PLA2G4B P0C869 1/20 0.45
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
SMPD1 P17405 3/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 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
SCHEMBL28214627 0.90 PTPN11 (0.54) CNR2MAPTPTPN11S1PR3PLA2G4B
SCHEMBL9446390 0.87 CNR2 (0.47) CNR2PTPN11S1PR3PLA2G4BPTPN1
SCHEMBL8085009 0.84 CNR2 (0.52) CNR2PPARAPPARGMAPTTDP1
SCHEMBL8085046 0.84 CNR2 (0.52) CNR2PPARAPPARGMAPTTDP1
SCHEMBL8089513 0.82 CNR2 (0.50) CNR2PPARAPPARGMAPTTDP1
SCHEMBL28886160 0.82 CNR2 (0.43) CNR2MAPTPTPN11S1PR3PTPN1
SCHEMBL8086102 0.81 PKM (0.52) CNR2PPARAPPARGMAPTTDP1
SCHEMBL2449812 0.81 SMN1; SMN2 (0.53) CNR2PPARAPPARGMAPTPTPN11
SCHEMBL28359092 0.81 PTPN11 (0.57) CNR2MAPTPTPN11S1PR3PLA2G4B
SCHEMBL6770688 0.80 LMNA (0.54) CNR2PPARAPPARGMAPTPTPN11

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
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP disclosed