SCHEMBL13680803

SCHEMBL13680803

CNC(=O)Nc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.44
AOC3 Q16853 4/20 0.43
ALDH1A1 P00352 1/20 0.41
PIP4K2A P48426 1/20 0.41
PIP4K2B P78356 1/20 0.41
FFAR1 O14842 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
CSF1R P07333 1/20 0.40
FLT1 P17948 1/20 0.40
FLT3 P36888 1/20 0.40
MGLL Q99685 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39

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
SCHEMBL13680796 0.87 AOC3 (0.56) AOC3ALDH1A1PIP4K2APIP4K2BFFAR1
SCHEMBL13680802 0.85 MGLL (0.45) AOC3FFAR1MGLL
SCHEMBL13680800 0.84 KIF11 (0.52) CNR1AOC3FFAR1CSF1RFLT1
SCHEMBL13680807 0.84 AOC3 (0.61) AOC3
SCHEMBL13680795 0.82 BCL2 (0.47) AOC3ALDH1A1
SCHEMBL13680793 0.79 BCHE (0.47) ALDH1A1FFAR1
SCHEMBL13680788 0.77 MAPT (0.50) AOC3
SCHEMBL13680804 0.76 HSD17B1 (0.47) ALDH1A1PIP4K2APIP4K2B
SCHEMBL13680789 0.76 ERN1 (0.50) ALDH1A1
SCHEMBL13680790 0.76 FFAR1 (0.45) FFAR1

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed