SCHEMBL14528293

SCHEMBL14528293

COC(=O)c1cccc(N2CCCC(C(=O)OCc3ccccc3)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
FKBP1A P62942 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44
KDM2B Q8NHM5 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
F10 P00742 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL2070351 0.84 NOTUM (0.56) ALDH1A1HSD17B10NPC1MEN1KMT2A
SCHEMBL2069693 0.81 GABRA1 (0.48) ALDH1A1FKBP1AGABRA1GABRG2GABRB3
SCHEMBL3897193 0.79 L3MBTL1 (0.63) ALDH1A1KDM2BL3MBTL1HSD17B10NPC1
SCHEMBL15630772 0.78 DPP4 (0.51) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL2070008 0.78 DPP4 (0.51) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL13624219 0.78 HPGD (0.49) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL2826490 0.78 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MEN1KMT2AMRGPRX4
SCHEMBL15630696 0.77 ALDH1A1 (0.50) ALDH1A1L3MBTL1HSD17B10NPC1RAB9A
SCHEMBL2849061 0.77 CPB1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL2849059 0.77 CPB1 (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MRGPRX4

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
EP-1780210-A1 NOVEL CYCLIC AMINOBENZOIC ACID DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2007-05-02 EP disclosed