SCHEMBL9375554

SCHEMBL9375554

CCCC1C(=O)Nc2cc(OC(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.38
TDO2 P48775 3/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NQO2 P16083 2/20 0.38
CDYL2 Q8N8U2 1/20 0.35
CDYL Q9Y232 1/20 0.35
HTR7 P34969 1/20 0.35
PRKCG P05129 1/20 0.34
PRKCB P05771 1/20 0.34
PRKCA P17252 1/20 0.34
PRKCE Q02156 1/20 0.34
PRKCD Q05655 1/20 0.34

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
SCHEMBL9376612 0.89 PGR (0.43) IDO1TDO2LMNATP53MAPT
SCHEMBL9773669 0.80 POLB (0.48) IDO1TDO2TP53MAPTNQO2
SCHEMBL9375152 0.79 PGR (0.40) LMNATP53
SCHEMBL9376526 0.76 MAOB (0.45) LMNATP53MAPT
SCHEMBL2526545 0.73 CDYL2 (0.52) LMNATP53MAPTCDYL2CDYL
SCHEMBL9376117 0.71 MAPT (0.40) IDO1LMNATP53MAPTNQO2
SCHEMBL7041168 0.70 IDO1 (0.70) IDO1TDO2MAPTHTR7
SCHEMBL11093048 0.70 PRKCG (0.36) TP53PRKCGPRKCBPRKCAPRKCE
SCHEMBL28567244 0.69 CDYL2 (0.51) TP53MAPTCDYL2CDYLHTR7
SCHEMBL9834705 0.69 NQO2 (0.39) IDO1LMNATP53MAPTNQO2

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-0344634-B1 Bicyclic carboxamides, process for their preparation and medicaments containing them BOEHRINGER MANNHEIM GMBH (DE) 1994-03-30 EP disclosed