SCHEMBL4621944

SCHEMBL4621944

COc1ccc(C(=O)COc2cc(OC(=O)O)nc3ccc(F)cc23)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPT P10636 3/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
ACHE P22303 4/20 0.43
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CTNNB1 P35222 1/20 0.39
WNT3A P56704 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
SCHEMBL4621940 0.85 MEN1 (0.46) MEN1KMT2AMAPTTSHRHIF1A
SCHEMBL5097655 0.84 MAPT (0.46) MEN1KMT2AMAPTTSHRHIF1A
SCHEMBL4621639 0.79 PDE10A (0.47) MEN1KMT2ATSHRALDH1A1PDE10A
SCHEMBL4622564 0.76 KDM4E (0.37) CYP3A4ALDH1A1PDE10A
SCHEMBL5093348 0.73 PKM (0.44) MEN1KMT2AMAPT
SCHEMBL5088534 0.73 PLA2G2A (0.42) MEN1KMT2AMAPTCYP1A2CYP3A4
SCHEMBL5093356 0.72 PKM (0.44) MEN1KMT2AMAPTALDH1A1
SCHEMBL5090503 0.72 PLA2G2A (0.51) MAPTALDH1A1
SCHEMBL15954474 0.72 HIF1A (0.67) MEN1KMT2AMAPTTSHRHIF1A
SCHEMBL31150639 0.72 HIF1A (0.67) MEN1KMT2AMAPTTSHRHIF1A

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-1696924-B1 ACIDIC QUINOLINE DERIVATIVES AND THEIR USE FOR THE PREVENTION AND/OR TREATMENT OF HYPERGLYCAEMIA-RELATED PATHOLOGIES MERCK PATENT GMBH (DE) 2008-03-26 EP claimed