SCHEMBL7682127

SCHEMBL7682127

Cc1cc(C)c(NC(=O)OC(C)(C)C)cc1C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LCK P06239 3/20 0.41
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
CNR2 P34972 1/20 0.39
CISD2 Q8N5K1 1/20 0.39
HPGD P15428 1/20 0.38

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
SCHEMBL655194 0.88 POLB (0.48) CA12CA1CA9LMNANPSR1
SCHEMBL653538 0.86 CISD2 (0.41) CA12CA1CA9BRD9SMN1; SMN2
SCHEMBL652964 0.86 CISD2 (0.41) CA12CA1CA9LMNANPSR1
SCHEMBL28797272 0.86 CYP17A1 (0.43) CA12CA1CA9LMNANPSR1
SCHEMBL12072957 0.86 LCK (0.41) CA12CA1CA9BRD9SMN1; SMN2
SCHEMBL27828990 0.86 GAA (0.46) CA12CA1CA9LMNABRD9
SCHEMBL4568354 0.85 MAPT (0.49) CA12CA1CA9BRD9SMN1; SMN2
SCHEMBL4212736 0.84 CA12 (0.41) CA12CA1CA9BRD9LCK
SCHEMBL5477161 0.84 ATR (0.46) CA12CA1CA9BRD9LCK
SCHEMBL14386620 0.84 SMN1; SMN2 (0.40) CA12CA1CA9LMNANPSR1

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