SCHEMBL8973059

SCHEMBL8973059

COC=CC(=O)O.Clc1ccc(Cl)c(C#Cc2ccc3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.39
FFAR1 O14842 2/20 0.38
CYP2C9 P11712 1/20 0.38
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
ACACB O00763 2/20 0.35

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
SCHEMBL8961234 0.91 ACACB (0.37) PTGDR2FFAR1CYP2C9PLA2G1BMAPT
SCHEMBL8972830 0.90 FFAR1 (0.43) PTGDR2FFAR1ACACB
SCHEMBL8972897 0.89 ACACB (0.41) PTGDR2FFAR1HAO1ACACB
SCHEMBL8973191 0.88 ACACB (0.38) FFAR1MAPTACACB
SCHEMBL8973413 0.86 HAO1 (0.41) PTGDR2FFAR1CYP2C9HAO1ACACB
SCHEMBL8972898 0.85 FFAR1 (0.38) PTGDR2FFAR1ACACB
SCHEMBL8973007 0.84 ACACB (0.36) FFAR1MAPTHAO1ACACB
SCHEMBL8961084 0.84 FFAR1 (0.48) FFAR1ACACB
SCHEMBL8960972 0.81 KDM4E (0.39) FFAR1MAPTACACB
SCHEMBL9128248 0.80 NPC1 (0.43) FFAR1ACACB

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