SCHEMBL13680788

SCHEMBL13680788

CC(=O)c1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
BCL2 P10415 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR52 Q9Y2T5 2/20 0.45
HSD17B1 P14061 3/20 0.44
LMNA P02545 2/20 0.42
AOC3 Q16853 4/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
HSD17B2 P37059 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
PTGS2 P35354 1/20 0.40
CYP19A1 P11511 1/20 0.40
MMP12 P39900 1/20 0.40
MMP13 P45452 1/20 0.40
MAOB P27338 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
SCHEMBL13681324 0.87 BCL2 (0.63) BCL2GPR52AOC3TRIM24TRIM33
SCHEMBL13680794 0.85 AOC3 (0.53) BCL2GPR52AOC3TRIM24TRIM33
SCHEMBL13680789 0.85 ERN1 (0.50) MAPTBCL2
SCHEMBL13680801 0.85 ERN1 (0.50) BCL2GPR52HSD17B1LMNAAOC3
SCHEMBL13680795 0.85 BCL2 (0.47) MAPTBCL2SMN1; SMN2GPR52LMNA
SCHEMBL13680791 0.82 GAA (0.55) MAPTBCL2SMN1; SMN2GPR52LMNA
SCHEMBL13680796 0.82 AOC3 (0.56) MAPTSMN1; SMN2HSD17B1LMNAAOC3
SCHEMBL13680790 0.81 FFAR1 (0.45) BCL2GPR52LIPGPTGS2
SCHEMBL418611 0.81 GPR52 (0.50) BCL2GPR52AOC3CYP19A1
SCHEMBL13099462 0.80 BCL2 (0.76) MAPTBCL2SMN1; SMN2HSD17B1LMNA

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