SCHEMBL8960851

SCHEMBL8960851

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.36
TBXA2R P21731 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGFR P43088 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
PTGDR Q13258 1/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 1/20 0.33
PPARA Q07869 1/20 0.33
MEN1 O00255 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
FFAR1 O14842 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
SCHEMBL8973237 0.89 ACACB (0.35) ACACBAPPMAPTESR1PPARA
SCHEMBL8961018 0.88 HAO1 (0.38) ACACBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL8960877 0.86 ACACB (0.35) ACACBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL8961152 0.86 ACACB (0.35) ACACBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL8961298 0.85 ACACB (0.34) ACACBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL8961282 0.84 ACACB (0.34) ACACBTBXA2RPTGER4PTGFRPTGER3
SCHEMBL8961072 0.84 ACACB (0.34) ACACBAPPMAPTPPARAABCB1
SCHEMBL8961084 0.83 FFAR1 (0.48) ACACBABCB1ABCG2KDM4EALDH1A1
SCHEMBL8973217 0.82 ALDH1A1 (0.34) ACACBESR1PPARAMEN1KMT2A
SCHEMBL8961296 0.82 CYP1A1 (0.47) ACACBTBXA2RPTGER4PTGFRPTGER3

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-5380883-A Insecticide, nematocide, miticide ROUSSEL-UCLAF (FR) 1995-01-10 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