SCHEMBL9688979

SCHEMBL9688979

COc1cc(/C=C(/C(C)=O)C(=O)O)cc(OC)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
GAA P10253 4/20 0.57
TDP1 Q9NUW8 2/20 0.57
PKM P14618 2/20 0.54
PTGS2 P35354 2/20 0.54
PTGS1 P23219 1/20 0.54
CYP3A4 P08684 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2B6 P20813 2/20 0.51
CYP2D6 P10635 1/20 0.51
LMNA P02545 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49

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
SCHEMBL30394931 1.00 MAPT (0.58) MAPTGAATDP1PKMPTGS2
SCHEMBL5770279 1.00 MAPT (0.58) MAPTGAATDP1PKMPTGS2
SCHEMBL718131 0.91 PKM (0.59) MAPTGAATDP1PKMPTGS2
SCHEMBL9238911 0.87 MAPT (0.49) MAPTGAATDP1PKMPTGS2
SCHEMBL9689450 0.87 GAA (0.57) MAPTGAATDP1KMT2AKDM4E
SCHEMBL10847801 0.87 GAA (0.57) MAPTGAATDP1KMT2AKDM4E
SCHEMBL30394527 0.85 MAPT (0.56) MAPTGAATDP1PKMPTGS2
SCHEMBL30812355 0.83 PKM (0.57) MAPTGAATDP1PKMPTGS2
SCHEMBL6072489 0.83 PKM (0.57) MAPTGAATDP1PKMPTGS2
SCHEMBL1867644 0.83 SNCA (0.56) MAPTGAATDP1PKMPTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0158211-B1 1,4-DIHYDROPYRIDIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USES AS MEDICAMENTS LABORATORIOS DELAGRANGE S.A. (ES) 1992-08-26 EP disclosed
EP-0158211-A2 1,4-Dihydropyridin derivatives, process for their preparation and their uses as medicaments LABORATORIOS DELAGRANGE S.A. (ES) 1985-10-16 EP disclosed