SCHEMBL7267166

SCHEMBL7267166

O=C(O)CC(CC(=O)OC(=O)CC(CC(=O)O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACP3 P15309 1/20 0.47
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.44
FFAR1 O14842 1/20 0.44
KMO O15229 1/20 0.44
GRM8 O00222 3/20 0.44
GRM4 Q14833 3/20 0.44
CYP26A1 O43174 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
GRM6 O15303 2/20 0.43

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
SCHEMBL16933041 0.92 ACP3 (0.54) FNTAFNTBL3MBTL1HTTSMN1; SMN2
SCHEMBL6903558 0.83 POLB (0.51) L3MBTL1HTTSMN1; SMN2ACP3POLB
SCHEMBL8125876 0.83 POLB (0.51) L3MBTL1HTTSMN1; SMN2ACP3POLB
SCHEMBL7349213 0.83 POLB (0.51) L3MBTL1HTTSMN1; SMN2ACP3POLB
SCHEMBL6903563 0.83 POLB (0.51) L3MBTL1HTTSMN1; SMN2ACP3POLB
SCHEMBL6574775 0.83 FNTA (0.54) FNTAFNTBALDH1A1MEN1KMT2A
SCHEMBL10876371 0.81 FFAR1 (0.49) FNTAFNTBL3MBTL1HTTSMN1; SMN2
SCHEMBL16933081 0.79 TSHR (0.53) L3MBTL1HTTSMN1; SMN2ACP3TP53
SCHEMBL9541616 0.77 GABBR2 (0.61) FNTAFNTBHTTSMN1; SMN2POLB
SCHEMBL657290 0.77 GABBR2 (0.61) FNTAFNTBHTTSMN1; SMN2POLB

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
US-6649613-B1 Integrin inhibitors MERCK PATENT GMBH (DE) 2003-11-18 US disclosed