SCHEMBL7686433

SCHEMBL7686433

CCOC(=O)C(CC)n1c(C(=O)O)cc2cc(C)ccc21

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
LMNA P02545 4/20 0.42
GFER P55789 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GPR35 Q9HC97 2/20 0.40
TP53 P04637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NOD2 Q9HC29 2/20 0.38
NOD1 Q9Y239 2/20 0.38
RAB9A P51151 1/20 0.37
CCR9 P51686 1/20 0.37

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
SCHEMBL7686573 0.84 NOD2 (0.44) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL7686006 0.73 MCL1 (0.46) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL4367809 0.73 GPR35 (0.47) LMNAGFERMEN1KMT2AL3MBTL1
SCHEMBL9613337 0.73 GPR35 (0.62) MAPTLMNAGFERMEN1KMT2A
SCHEMBL6701629 0.72 MCL1 (0.50) MAPTMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL7686434 0.71 PLA2G4A (0.46) MAPTLMNAGFERGPR35ALDH1A1
SCHEMBL27548103 0.71 GFER (0.37) MAPTLMNAGFERMEN1KMT2A
SCHEMBL11529770 0.71 MAPT (0.67) MAPTLMNAMEN1KMT2AL3MBTL1
SCHEMBL13802535 0.71 PLA2G4A (0.51) MAPTLMNAGFERMEN1KMT2A
SCHEMBL30547707 0.70 KDM4E (0.68) MAPTLMNAGFERMEN1KMT2A

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