SCHEMBL8973237

SCHEMBL8973237

CC(C)(C#Cc1ccc2ccccc2c1)Nc1ccccc1.COC=CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
NPC1 O15118 6/20 0.33
RAB9A P51151 6/20 0.33
APP P05067 1/20 0.33
LMNA P02545 1/20 0.32
CASP3 P42574 2/20 0.32
SENP7 Q9BQF6 2/20 0.32
KAT6A Q92794 1/20 0.32
ESR1 P03372 1/20 0.32
NQO2 P16083 1/20 0.32
DGAT1 O75907 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL8960851 0.89 ACACB (0.36) ACACBMEN1KMT2AMAPTKDM4E
SCHEMBL8961018 0.86 HAO1 (0.38) ACACBMAPTKDM4EAPPESR1
SCHEMBL8960877 0.84 ACACB (0.35) ACACBMAPTKDM4EAPPESR1
SCHEMBL8961152 0.84 ACACB (0.35) ACACBMAPTKDM4EAPPESR1
SCHEMBL8961298 0.83 ACACB (0.34) ACACBMAPTKDM4EAPPESR1
SCHEMBL8961282 0.82 ACACB (0.34) ACACBMAPTKDM4EAPPESR1
SCHEMBL8961072 0.82 ACACB (0.34) ACACBMAPTKDM4EAPPPPARA
SCHEMBL8961084 0.81 FFAR1 (0.48) ACACBKDM4ELMNA
SCHEMBL8973217 0.80 ALDH1A1 (0.34) ACACBMEN1KMT2AKDM4EESR1
SCHEMBL8961296 0.80 CYP1A1 (0.47) ACACBMAPTKDM4EAPPESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0566455-B1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1996-03-06 EP disclosed
US-5451696-A Parasiticide intermediate ROUSSEL-UCLAF (FR) 1995-09-19 US disclosed
US-5380883-A Insecticide, nematocide, miticide ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
EP-0566455-A1 Derivatives of 7-ethynyle alpha-(methoxymethylene)1-naphthalenacetic acid, their process of preparation and their use as pesticides ROUSSEL UCLAF (FR) 1993-10-20 EP disclosed