SCHEMBL8961072

SCHEMBL8961072

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
PPARA Q07869 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
ABCB1 P08183 1/20 0.32
FFAR1 O14842 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

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
SCHEMBL9137615 0.90 EGFR (0.40) ACACBKDM4EALDH1A1UTS2RPPARA
SCHEMBL8973217 0.88 ALDH1A1 (0.34) ACACBKDM4EALDH1A1UTS2RPPARA
SCHEMBL8961018 0.88 HAO1 (0.38) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8961152 0.86 ACACB (0.35) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8960877 0.86 ACACB (0.35) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8961034 0.86 EGFR (0.35) ACACBALDH1A1UTS2RPPARAABCG2
SCHEMBL8961298 0.85 ACACB (0.34) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8960851 0.84 ACACB (0.36) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8961282 0.84 ACACB (0.34) ACACBKDM4EALDH1A1PPARAABCG2
SCHEMBL8961084 0.83 FFAR1 (0.48) ACACBKDM4EALDH1A1UTS2RABCG2

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-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