SCHEMBL13680828

SCHEMBL13680828

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.42
ALDH1A3 P47895 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
ALDH1A2 O94788 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MAPT P10636 5/20 0.40
KDM4E B2RXH2 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NPC1 O15118 2/20 0.40
HPGD P15428 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 2/20 0.40
HSD17B10 Q99714 1/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
ERN1 O75460 1/20 0.39
P2RX7 Q99572 1/20 0.39
MEN1 O00255 3/20 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
SCHEMBL13680825 0.87 MAPT (0.41) ALDH1A1MAPTSMN1; SMN2HPGDLMNA
SCHEMBL13680836 0.85 NPC1 (0.44) MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL13680851 0.84 MAPK1 (0.43) HPGD
SCHEMBL13680830 0.84 RARA (0.44) ALDH1A1LOXL2KDM4ESMN1; SMN2NPC1
SCHEMBL13680835 0.83 MAP4K4 (0.42) TLR8NPC1RAB9AERN1
SCHEMBL13680844 0.82 SMN1; SMN2 (0.43) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13680837 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHPGDHSD17B10ERN1
SCHEMBL13680815 0.81 PDE10A (0.46) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13680827 0.81 KMT2A (0.50) ALDH1A1MAPTKDM4ESMN1; SMN2NPC1
SCHEMBL13680840 0.81 RAB9A (0.41) ALDH1A1MAPTSMN1; SMN2NPC1HPGD

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