SCHEMBL7686434

SCHEMBL7686434

CCOC(=O)CCCn1c(C(=O)O)cc2cc(C)ccc21

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 3/20 0.46
GAA P10253 1/20 0.45
TNF P01375 2/20 0.45
MCL1 Q07820 3/20 0.44
MAPT P10636 3/20 0.44
GPR35 Q9HC97 2/20 0.43
LMNA P02545 2/20 0.42
CTNNB1 P35222 1/20 0.42
GFER P55789 1/20 0.41
FAAH O00519 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL8693185 0.86 MCL1 (0.58) GAATNFMCL1CTNNB1ALDH1A1
SCHEMBL7686577 0.85 NOD2 (0.49) GAATNFCTNNB1
SCHEMBL4370468 0.84 ALDH1A1 (0.50) PLA2G4AGAAMCL1GPR35LMNA
SCHEMBL4363318 0.83 PLA2G4A (0.52) PLA2G4AGAAMCL1GPR35ALDH1A1
SCHEMBL8691611 0.83 MCL1 (0.57) GAATNFMCL1FAAHALDH1A1
SCHEMBL4361805 0.82 PLA2G4A (0.53) PLA2G4AGAAMCL1GPR35ALDH1A1
SCHEMBL7686010 0.82 MCL1 (0.56) TNFMCL1FAAHALDH1A1CYP1A2
SCHEMBL2015584 0.82 SRD5A2 (0.63) PLA2G4AMCL1
SCHEMBL13802535 0.82 PLA2G4A (0.51) PLA2G4AMCL1MAPTGPR35LMNA
SCHEMBL9613337 0.79 GPR35 (0.62) MAPTGPR35LMNAGFERALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380230-B1 FOR THERAPY OF DYSKINESIA, OBESITY, IRRITABLE BOWEL SYNDROME, DISEASES WHOSE TREATMENT REQUIRES STIMULATION OF THE CHOLECYSTOKININ CCK-A RECEPTORS SANOFI-SYNTHELABO (FR) 2002-04-30 US disclosed