SCHEMBL9809538

SCHEMBL9809538

CCOC(=O)C1=C(CCC(OC(=O)C(C)(C)C)c2ccccc2)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.64
CYP1A2 P05177 4/20 0.64
CYP3A4 P08684 4/20 0.64
CYP2C9 P11712 4/20 0.64
CYP2C19 P33261 4/20 0.64
KMT2A Q03164 4/20 0.64
HIF1A Q16665 3/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 3/20 0.64
CYP2D6 P10635 2/20 0.64
TSHR P16473 2/20 0.64
NFKB1 P19838 2/20 0.64
THPO P40225 2/20 0.64
POLB P06746 1/20 0.64
MAPK1 P28482 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
CACNA1F O60840 9/20 0.58
CACNA1D Q01668 9/20 0.58
CACNA1S Q13698 9/20 0.58
CACNA1C Q13936 9/20 0.58

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
SCHEMBL9809519 0.93 MEN1 (0.63) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7438067 0.92 MEN1 (0.67) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7432131 0.91 MEN1 (0.66) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7432057 0.90 HIF1A (0.69) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7430200 0.90 MEN1 (0.64) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7428758 0.88 HIF1A (0.66) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7440292 0.87 HIF1A (0.65) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL9809444 0.87 HIF1A (0.71) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7426092 0.87 HIF1A (0.71) MEN1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7431696 0.87 HIF1A (0.71) MEN1CYP1A2CYP3A4CYP2C9CYP2C19

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-5075324-A ARALKYL-1,4-DIHYDROPYRIDINES, A METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION CONTAINING THEM BOEHRINGER BIOCHEMIA ROBIN S.P.A. (IT) 1991-12-24 US disclosed