SCHEMBL8961168

SCHEMBL8961168

COC=CC(=O)O.FC(F)(F)Oc1ccc(C#Cc2ccc3ccccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.42
KMT2A Q03164 1/20 0.41
ACACB O00763 2/20 0.40
EPM2A O95278 1/20 0.40
PTPRC P08575 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPRG P23470 1/20 0.40
ACP1 P24666 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN7 P35236 1/20 0.40
PTPN9 P43378 1/20 0.40
DUSP3 P51452 1/20 0.40
PTPN11 Q06124 1/20 0.40
PTPN13 Q12923 1/20 0.40
DUSP22 Q9NRW4 1/20 0.40
CDC14A Q9UNH5 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL8961084 0.88 FFAR1 (0.48) FFAR1ACACBPTPN11ALDH1A1
SCHEMBL8961092 0.87 PTPN1 (0.40) FFAR1ACACBPTPN1PTPN6PTPN11
SCHEMBL9128248 0.87 NPC1 (0.43) FFAR1KMT2AACACBPOLBGAA
SCHEMBL8961303 0.87 NPC1 (0.43) FFAR1KMT2AACACBPOLBGAA
SCHEMBL8961086 0.86 ACACB (0.41) FFAR1ACACBMMP2MMP9ALDH1A1
SCHEMBL8972671 0.86 ACACB (0.41) FFAR1KMT2AACACBALDH1A1SMN1; SMN2
SCHEMBL8961060 0.84 ACACB (0.42) FFAR1KMT2AACACBAKR1C3POLB
SCHEMBL8961152 0.84 ACACB (0.35) FFAR1ACACBAKR1C3ALDH1A1GABBR2
SCHEMBL8973407 0.84 RARB (0.45) FFAR1KMT2AACACBALDH1A1POLB
SCHEMBL8972851 0.83 MEN1 (0.42) FFAR1KMT2AACACBALDH1A1KAT6A

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-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