SCHEMBL8973191

SCHEMBL8973191

COC=CC(=O)O.Clc1ccc(C#Cc2ccc3ccccc3c2)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
PTGER3 P43115 3/20 0.37
PTGER2 P43116 3/20 0.37
PTGER1 P34995 2/20 0.37
FFAR1 O14842 2/20 0.37
PYGL P06737 1/20 0.35
TBXA2R P21731 2/20 0.35
PTGER4 P35408 2/20 0.35
PTGFR P43088 2/20 0.35
PTGDR Q13258 2/20 0.35
PTGIR P43119 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ASIC3 Q9UHC3 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34
ABCB1 P08183 1/20 0.34
SLC6A2 P23975 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
SCHEMBL8973007 0.90 ACACB (0.36) ACACBABCG2FFAR1KDM4EMAPT
SCHEMBL8972897 0.89 ACACB (0.41) ACACBABCG2FFAR1ASIC3
SCHEMBL8961084 0.89 FFAR1 (0.48) ACACBABCG2FFAR1KDM4EALDH1A1
SCHEMBL8972830 0.88 FFAR1 (0.43) ACACBABCG2FFAR1KDM4EALDH1A1
SCHEMBL8973059 0.88 PTGDR2 (0.39) ACACBFFAR1MAPT
SCHEMBL8973413 0.87 HAO1 (0.41) ACACBFFAR1
SCHEMBL8961234 0.85 ACACB (0.37) ACACBABCG2PTGER3PTGER2FFAR1
SCHEMBL8972898 0.85 FFAR1 (0.38) ACACBABCG2FFAR1KDM4EALDH1A1
SCHEMBL9128248 0.85 NPC1 (0.43) ACACBFFAR1APP
SCHEMBL8961303 0.85 NPC1 (0.43) ACACBFFAR1APP

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 3 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-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