SCHEMBL8972830

SCHEMBL8972830

COC=CC(=O)O.Clc1ccccc1C#Cc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.43
PTGDR2 Q9Y5Y4 6/20 0.40
ACACB O00763 1/20 0.39
GRM5 P41594 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.36
SLC16A3 O15427 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8972898 0.92 FFAR1 (0.38) FFAR1PTGDR2ACACBABCG2SLC16A3
SCHEMBL8973059 0.90 PTGDR2 (0.39) FFAR1PTGDR2ACACB
SCHEMBL8961234 0.90 ACACB (0.37) FFAR1PTGDR2ACACBABCG2KDM4E
SCHEMBL8973191 0.88 ACACB (0.38) FFAR1ACACBABCG2KDM4EALDH1A1
SCHEMBL8972897 0.87 ACACB (0.41) FFAR1PTGDR2ACACBABCG2MEN1
SCHEMBL8961084 0.86 FFAR1 (0.48) FFAR1ACACBABCG2KDM4EALDH1A1
SCHEMBL8973007 0.85 ACACB (0.36) FFAR1ACACBABCG2KDM4E
SCHEMBL8973413 0.85 HAO1 (0.41) FFAR1PTGDR2ACACBGRM5LMNA
SCHEMBL9128248 0.83 NPC1 (0.43) FFAR1ACACBLMNAMEN1KMT2A
SCHEMBL8961303 0.83 NPC1 (0.43) FFAR1ACACBLMNAMEN1KMT2A

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