SCHEMBL7686063

SCHEMBL7686063

COc1cc(C)c2c(c1)cc(C(=O)Nc1nc(-c3cc(OC)c(Cl)cc3OC)c(CCC3CCCCC3)s1)n2CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 7/20 0.39
GAA P10253 1/20 0.34
MAPT P10636 6/20 0.32
TP53 P04637 4/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PLTP P55058 2/20 0.32
LMNA P02545 1/20 0.32
DYRK1A Q13627 1/20 0.31
MEN1 O00255 1/20 0.31
CCKAR P32238 1/20 0.31
KMT2A Q03164 1/20 0.31
SAE1 Q9UBE0 1/20 0.31

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
SCHEMBL29403637 0.95 TRPV4 (0.36) TRPV4GAAMAPTTP53PLTP
SCHEMBL1008694 0.95 TRPV4 (0.36) TRPV4GAAMAPTTP53PLTP
SCHEMBL7682713 0.94 TRPV4 (0.35) TRPV4GAAMAPTTP53SMN1; SMN2
Trifluoroacetic Acid SCHEMBL226079 0.92 TRPV4 (0.34) TRPV4MAPTTP53SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL30480661 0.92 TRPV4 (0.34) TRPV4MAPTTP53SMN1; SMN2ALDH1A1
Diethylamine SCHEMBL7031731 0.92 TRPV4 (0.34) TRPV4GAAMAPTTP53ALDH1A1
SCHEMBL7688727 0.91 TRPV4 (0.36) TRPV4MAPTTP53PLTPLMNA
Monoethanolamine SCHEMBL7032257 0.91 TRPV4 (0.34) TRPV4MAPTTP53PLTPLMNA
SCHEMBL7686443 0.91 TRPV4 (0.36) TRPV4GAAMAPTTP53PLTP
Monoethanolamine SCHEMBL7031750 0.90 TRPV4 (0.33) TRPV4PLTP

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-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 claimed
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