SCHEMBL6903563

SCHEMBL6903563

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

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ACP3 P15309 1/20 0.49
FFAR1 O14842 1/20 0.48
MEN1 O00255 1/20 0.48
HPGD P15428 1/20 0.48
KMT2A Q03164 1/20 0.48
CYP26A1 O43174 1/20 0.47
TP53 P04637 1/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KMO O15229 1/20 0.46
GRM8 O00222 1/20 0.45
GRM4 Q14833 1/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6903558 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL7349213 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL8125876 1.00 POLB (0.51) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL16933041 0.91 ACP3 (0.54) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL10876371 0.85 FFAR1 (0.49) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL6905899 0.85 MEN1 (0.50) L3MBTL1HTTSMN1; SMN2FFAR1MEN1
SCHEMBL6903550 0.85 MEN1 (0.50) L3MBTL1HTTSMN1; SMN2FFAR1MEN1
SCHEMBL3060638 0.84 L3MBTL1 (0.51) L3MBTL1HTTSMN1; SMN2ACP3MEN1
SCHEMBL7267166 0.83 FNTA (0.47) POLBL3MBTL1HTTSMN1; SMN2ACP3
SCHEMBL21200270 0.82 MEN1 (0.57) POLBL3MBTL1HTTSMN1; SMN2ACP3

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-1015441-B1 PROCESS TO PRODUCE 4-HYDROXY-2-OXO-PYRANE DERIVATIVES USEFUL AS PROTEASE INHIBITORS UPJOHN CO (US) 2004-05-12 EP claimed