SCHEMBL6829591

SCHEMBL6829591

CCC(=O)Nc1c(C)cc(OCCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MCL1 Q07820 1/20 0.44
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 3/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
PTPRB P23467 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SIRT5 Q9NXA8 1/20 0.39
ATM Q13315 1/20 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
SCHEMBL6829590 1.00 L3MBTL1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6489530 0.89 MAPT (0.44) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7067283 0.84 MCL1 (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7067278 0.84 MCL1 (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6487855 0.79 MAPT (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL6501580 0.78 MCL1 (0.47) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7316016 0.76 MCL1 (0.45) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7131566 0.76 KMT2A (0.44) L3MBTL1MAPTALDH1A1NPC1LMNA
SCHEMBL6488315 0.75 MAPT (0.42) L3MBTL1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10176161 0.75 MAPT (0.62) L3MBTL1MAPTALDH1A1NPC1LMNA

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
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed