SCHEMBL7311635

SCHEMBL7311635

CC(=O)N1c2ccccc2C[C@@H]1OC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.60
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
ACE P12821 3/20 0.42

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
SCHEMBL7321256 1.00 NOTUM (0.60) NOTUMNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL8522019 0.83 BCHE (0.46) NOTUMNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL7366208 0.82 ACE (0.46) ACE
SCHEMBL7359614 0.80 ACE (0.44) ACE
SCHEMBL1445012 0.80 AADAT (0.41) NOTUMNPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL7316205 0.79 LMNA (0.49) NOTUM
SCHEMBL10646920 0.78 NPC1 (0.52) NPC1CYP2C19ACE
SCHEMBL7321116 0.78 CYP1A2 (0.43) NPC1ALDH1A1CYP1A2CYP2C19
SCHEMBL7475934 0.78 NPC1 (0.52) NPC1CYP2C19ACE
SCHEMBL7322632 0.78 ACE (0.51) ACE

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
EP-0050850-A1 1-Carboxyalkanoylindolin-2-carboxylic acids and derivatives thereof, processes for their preparation, and pharmaceutical compositions containing these compounds CIBA-GEIGY AG (CH) 1982-05-05 EP disclosed