SCHEMBL8961234

SCHEMBL8961234

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.37
PTGDR2 Q9Y5Y4 8/20 0.37
MAPT P10636 2/20 0.37
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
FFAR1 O14842 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
ITGB2 P05107 1/20 0.34
ICAM1 P05362 1/20 0.34
ITGAL P20701 1/20 0.34
TBXA2R P21731 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL8973059 0.91 PTGDR2 (0.39) ACACBPTGDR2MAPTPLA2G1BATG4B
SCHEMBL8972830 0.90 FFAR1 (0.43) ACACBPTGDR2FFAR1KDM4EMEN1
SCHEMBL8972897 0.89 ACACB (0.41) ACACBPTGDR2FFAR1MEN1NPC1
SCHEMBL8973413 0.86 HAO1 (0.41) ACACBPTGDR2FFAR1CYP2C9
SCHEMBL8973191 0.85 ACACB (0.38) ACACBMAPTFFAR1KDM4EABCG2
SCHEMBL8972898 0.85 FFAR1 (0.38) ACACBPTGDR2FFAR1KDM4EMEN1
SCHEMBL8973007 0.84 ACACB (0.36) ACACBMAPTFFAR1KDM4ENPC1
SCHEMBL8961084 0.84 FFAR1 (0.48) ACACBFFAR1KDM4EABCG2
SCHEMBL8960972 0.81 KDM4E (0.39) ACACBMAPTFFAR1KDM4EMEN1
SCHEMBL8961303 0.80 NPC1 (0.43) ACACBFFAR1MEN1NPC1GAA

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 5 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
EP-0693877-A1 USE OF 7-ETHYNYL $g(a)-(METHOXYMETHYLENE) 1-NAPHTHALENE ACETIC ACID DERIVATIVES FOR PREPARING FUNGICIDAL COMPOSITIONS ROUSSEL UCLAF (FR) 1996-01-31 EP disclosed
US-5451696-A Parasiticide intermediate ROUSSEL-UCLAF (FR) 1995-09-19 US disclosed
WO-1994023576-A1 USE OF 7-ETHYNYL α-(METHOXYMETHYLENE) 1-NAPHTHALENE ACETIC ACID DERIVATIVES FOR PREPARING FUNGICIDAL COMPOSITIONS ROUSSEL UCLAF (FR) 1994-10-27 WO 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