SCHEMBL8961282

SCHEMBL8961282

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
PPARA Q07869 1/20 0.33
ABCB1 P08183 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
FFAR1 O14842 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
APP P05067 1/20 0.32
MAPT P10636 1/20 0.32
AKR1C3 P42330 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGFR P43088 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGDR Q13258 1/20 0.32
HAO1 Q9UJM8 2/20 0.31
ESR1 P03372 1/20 0.31
GABBR2 O75899 1/20 0.31

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 0.91 ACACB (0.35) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8961018 0.88 HAO1 (0.38) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8961152 0.86 ACACB (0.35) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8961298 0.85 ACACB (0.34) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8961215 0.85 PPARA (0.33) ACACBPPARAFFAR1ALDH1A1AKR1C3
SCHEMBL8960851 0.84 ACACB (0.36) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8961072 0.84 ACACB (0.34) ACACBPPARAABCB1ABCG2FFAR1
SCHEMBL8973219 0.84 PPARA (0.39) ACACBPPARAABCG2ALDH1A1HPGD
SCHEMBL8961084 0.83 FFAR1 (0.48) ACACBABCB1ABCG2FFAR1KDM4E
SCHEMBL8961023 0.82 PPARA (0.33) ACACBPPARAKDM4EALDH1A1APP

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