SCHEMBL9503442

SCHEMBL9503442

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 5/20 0.60
KLK7 P49862 1/20 0.57
PKM P14618 1/20 0.57
ALDH1A1 P00352 5/20 0.54
POLB P06746 2/20 0.50
MEN1 O00255 3/20 0.48
MAPT P10636 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 2/20 0.47
MAPK1 P28482 1/20 0.47
UBE2N P61088 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9502663 0.87 CYP2D6 (0.55) CYP2D6KMT2AKLK7PKMALDH1A1
SCHEMBL18134734 0.84 PKM (0.59) CYP2D6KMT2AKLK7PKMALDH1A1
SCHEMBL4158526 0.84 PKM (0.62) KMT2AKLK7PKMALDH1A1MEN1
SCHEMBL4158522 0.84 PKM (0.62) KMT2AKLK7PKMALDH1A1MEN1
SCHEMBL4162007 0.84 PKM (0.62) KMT2AKLK7PKMALDH1A1MEN1
SCHEMBL10693587 0.84 ALDH1A1 (0.62) CYP2D6KMT2APKMALDH1A1POLB
SCHEMBL9502642 0.79 PKM (0.60) KMT2AKLK7PKMALDH1A1MEN1
SCHEMBL7599647 0.77 KMT2A (0.51) CYP2D6KMT2AALDH1A1POLBMEN1
SCHEMBL18134893 0.76 PKM (0.67) KMT2AKLK7PKMALDH1A1MEN1
SCHEMBL10692649 0.76 PKM (0.76) KMT2AKLK7PKMALDH1A1MEN1

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