SCHEMBL9502642

SCHEMBL9502642

CCOC(=O)OC(C(=O)NCc1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
KLK7 P49862 1/20 0.54
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.51
PPID Q08752 1/20 0.50
LMNA P02545 1/20 0.50
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CACNA1C Q13936 1/20 0.48
SCN9A Q15858 1/20 0.48
CA9 Q16790 1/20 0.48
CA13 Q8N1Q1 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48

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
SCHEMBL4162007 0.83 PKM (0.62) PKMKLK7KMT2AMEN1LMNA
SCHEMBL4158526 0.83 PKM (0.62) PKMKLK7KMT2AMEN1LMNA
SCHEMBL4158522 0.83 PKM (0.62) PKMKLK7KMT2AMEN1LMNA
SCHEMBL11791194 0.81 PPARA (0.49) KMT2AMEN1LMNAALDH1A1GAA
SCHEMBL9503442 0.79 CYP2D6 (0.66) PKMKLK7KMT2AMEN1LMNA
SCHEMBL10692649 0.78 PKM (0.76) PKMKLK7KMT2AMEN1LMNA
SCHEMBL18134893 0.78 PKM (0.67) PKMKLK7KMT2AMEN1CA12
SCHEMBL11815432 0.77 MMP8 (0.45) KMT2AMEN1ALDH1A1GAAMMP8
SCHEMBL14776377 0.77 PPID (0.57) PKMKMT2AMEN1PPIDCA12
SCHEMBL257848 0.76 PKM (0.71) PKMKLK7KMT2AMEN1LMNA

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-0376852-B1 MICROGRANULES ESSENTIALLY CONSISTING OF TRIGLYCERIDES OF SATURATED FATTY ACIDS LOADED WITH AN ACTIVE SUBSTANCE, AND THEIR TOPICAL THERAPEUTICAL USE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1993-06-23 EP claimed