SCHEMBL13680825

SCHEMBL13680825

CC(=O)c1ccc(-c2cccc(CCC=O)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA3 P0DMS8 4/20 0.40
HSD17B1 P14061 1/20 0.38
MAOB P27338 1/20 0.37
PDE10A Q9Y233 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
SCN9A Q15858 2/20 0.36
RARA P10276 1/20 0.36
RARB P10826 1/20 0.36
TRPV3 Q8NET8 1/20 0.36
ATR Q13535 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
ALOX5 P09917 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
SCHEMBL13680830 0.89 RARA (0.44) SMN1; SMN2PDE10ARARARARBALDH1A1
SCHEMBL13680835 0.87 MAP4K4 (0.42) SCN9A
SCHEMBL13680836 0.87 NPC1 (0.44) MAPTSMN1; SMN2ADORA3TRPV3ATR
SCHEMBL13680837 0.87 ALDH1A1 (0.40) ATRKMT2AALDH1A1HPGDHSD17B10
SCHEMBL13680828 0.87 ALDH1A1 (0.42) MAPTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL13680834 0.84 PDE10A (0.39) MAPTSMN1; SMN2ADORA3PDE10ATRPV3
SCHEMBL13680827 0.82 KMT2A (0.50) MAPTSMN1; SMN2PDE10AKMT2AALDH1A1
SCHEMBL13680840 0.82 RAB9A (0.41) MAPTSMN1; SMN2SCN9AKMT2AALDH1A1
SCHEMBL3854280 0.82 MEN1 (0.50) PDE10ATRPV3KMT2AALDH1A1
SCHEMBL13680815 0.80 PDE10A (0.46) MAPTSMN1; SMN2ADORA3PDE10ASCN9A

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