SCHEMBL8961018

SCHEMBL8961018

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 2/20 0.38
ACACB O00763 1/20 0.36
PPARA Q07869 1/20 0.35
FFAR1 O14842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ABCB1 P08183 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
PTPN11 Q06124 1/20 0.34
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
AKR1C3 P42330 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL8960877 0.90 ACACB (0.35) HAO1ACACBPPARAFFAR1KDM4E
SCHEMBL8961152 0.90 ACACB (0.35) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961298 0.89 ACACB (0.34) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8960851 0.88 ACACB (0.36) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961072 0.88 ACACB (0.34) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961282 0.88 ACACB (0.34) HAO1ACACBPPARAFFAR1KDM4E
SCHEMBL8961084 0.87 FFAR1 (0.48) ACACBFFAR1KDM4EALDH1A1HPGD
SCHEMBL8960955 0.87 ACACB (0.37) HAO1ACACBPPARAKDM4EALDH1A1
SCHEMBL8973290 0.87 ACACB (0.39) HAO1ACACBPPARAFFAR1PTPN11
SCHEMBL8973237 0.86 ACACB (0.35) ACACBPPARAKDM4EAPPMAPT

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 6 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
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