SCHEMBL8960771

SCHEMBL8960771

CC(C)(C#Cc1ccc2ccccc2c1)c1ccc(Cl)cc1.COC=CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.33
CYP3A4 P08684 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GMNN O75496 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 3/20 0.33
KAT6A Q92794 1/20 0.33
PPARG P37231 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.32
IDH1 O75874 1/20 0.32
ACACB O00763 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 2/20 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
SCHEMBL8961298 0.92 ACACB (0.34) PPARAPPARGABCG2ACACBMAPT
SCHEMBL8972897 0.87 ACACB (0.41) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL8973219 0.87 PPARA (0.39) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL8961018 0.84 HAO1 (0.38) PPARAABCG2ACACBMAPTHPGD
SCHEMBL8961034 0.84 EGFR (0.35) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL8973407 0.82 RARB (0.45) MEN1KMT2ANPC1RAB9ATDP1
SCHEMBL8961152 0.82 ACACB (0.35) PPARAABCG2ACACBMAPTHPGD
SCHEMBL8960877 0.82 ACACB (0.35) PPARAABCG2ACACBMAPTHPGD
SCHEMBL8960851 0.81 ACACB (0.36) MEN1KMT2ANPC1RAB9APPARA
SCHEMBL8961072 0.81 ACACB (0.34) PPARAABCG2ACACBMAPTHPGD

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