SCHEMBL8961152

SCHEMBL8961152

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
GABBR2 O75899 3/20 0.34
GABBR1 Q9UBS5 3/20 0.34
PPARA Q07869 1/20 0.34
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ABCB1 P08183 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
APP P05067 1/20 0.33
MAPT P10636 1/20 0.33
AKR1C3 P42330 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGFR P43088 1/20 0.33
PTGER3 P43115 1/20 0.33
PTGER2 P43116 1/20 0.33
PTGDR Q13258 1/20 0.33
GABRB1 P18505 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
SCHEMBL8961018 0.90 HAO1 (0.38) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8960877 0.88 ACACB (0.35) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961298 0.87 ACACB (0.34) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8960851 0.86 ACACB (0.36) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961282 0.86 ACACB (0.34) ACACBGABBR2GABBR1PPARAFFAR1
SCHEMBL8961072 0.86 ACACB (0.34) ACACBPPARAFFAR1KDM4EALDH1A1
SCHEMBL8961084 0.85 FFAR1 (0.48) ACACBFFAR1KDM4EALDH1A1HPGD
SCHEMBL8961092 0.85 PTPN1 (0.40) ACACBFFAR1ESR1
SCHEMBL8973237 0.84 ACACB (0.35) ACACBPPARAKDM4EAPPMAPT
SCHEMBL8961168 0.84 FFAR1 (0.42) ACACBGABBR2GABBR1FFAR1ALDH1A1

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 2 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
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