SCHEMBL13680802

SCHEMBL13680802

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
AOC3 Q16853 3/20 0.43
F11 P03951 1/20 0.43
ENPP2 Q13822 2/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
GPR52 Q9Y2T5 1/20 0.40
FFAR1 O14842 1/20 0.40
PLAU P00749 1/20 0.40

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) SMN1; SMN2AOC3HPGDMAPTFFAR1
SCHEMBL13680803 0.85 CNR1 (0.44) MGLLAOC3FFAR1
SCHEMBL13680800 0.84 KIF11 (0.52) AOC3MAPTGPR52FFAR1
SCHEMBL13680807 0.84 AOC3 (0.61) AOC3
SCHEMBL13680789 0.82 ERN1 (0.50) RAB9AMAPTPLAU
SCHEMBL13680793 0.79 BCHE (0.47) SMN1; SMN2NPC1RAB9AHPGDMAPT
SCHEMBL13680784 0.78 ABL1 (0.50) SMN1; SMN2HPGDGPR52FFAR1
SCHEMBL13680788 0.77 MAPT (0.50) SMN1; SMN2AOC3MAPTGPR52
SCHEMBL13680804 0.76 HSD17B1 (0.47) SMN1; SMN2NPC1RAB9AHPGD
SCHEMBL13680791 0.76 GAA (0.55) SMN1; SMN2NPC1RAB9AHPGDMAPT

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