SCHEMBL8960955

SCHEMBL8960955

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.37
ESR1 P03372 1/20 0.36
HAO1 Q9UJM8 2/20 0.36
PPARA Q07869 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 2/20 0.35
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
PPARG P37231 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CNR2 P34972 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL8961018 0.87 HAO1 (0.38) ACACBESR1HAO1PPARAALDH1A1
SCHEMBL8973290 0.84 ACACB (0.39) ACACBHAO1PPARATBXA2RPTGER4
SCHEMBL8961152 0.78 ACACB (0.35) ACACBESR1PPARAALDH1A1KDM4E
SCHEMBL8960877 0.78 ACACB (0.35) ACACBESR1HAO1PPARAALDH1A1
SCHEMBL8961298 0.77 ACACB (0.34) ACACBESR1PPARAALDH1A1KDM4E
SCHEMBL8973217 0.76 ALDH1A1 (0.34) ACACBESR1PPARAALDH1A1GAA
SCHEMBL8960851 0.76 ACACB (0.36) ACACBESR1PPARAALDH1A1KDM4E
SCHEMBL8961282 0.76 ACACB (0.34) ACACBESR1HAO1PPARAALDH1A1
SCHEMBL8961072 0.76 ACACB (0.34) ACACBPPARAALDH1A1KDM4E
SCHEMBL8973237 0.74 ACACB (0.35) ACACBESR1PPARAKDM4ENPC1

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