SCHEMBL8961296

SCHEMBL8961296

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP1B1 Q16678 2/20 0.47
ACACB O00763 1/20 0.38
FFAR1 O14842 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
TBXA2R P21731 1/20 0.36
PTGER4 P35408 1/20 0.36
PTGFR P43088 1/20 0.36
PTGER3 P43115 1/20 0.36
PTGER2 P43116 1/20 0.36
PTGDR Q13258 1/20 0.36
APP P05067 1/20 0.36
MAPT P10636 1/20 0.36
AKR1C3 P42330 1/20 0.36
PARP1 P09874 1/20 0.35

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 0.90 FFAR1 (0.48) ACACBFFAR1KDM4EALDH1A1HPGD
SCHEMBL8960972 0.88 KDM4E (0.39) CYP1A1CYP1A2CYP1B1ACACBFFAR1
SCHEMBL8961060 0.87 ACACB (0.42) ACACBFFAR1AKR1C3
SCHEMBL8961303 0.87 NPC1 (0.43) CYP1A2ACACBFFAR1APP
SCHEMBL9128248 0.87 NPC1 (0.43) CYP1A2ACACBFFAR1APP
SCHEMBL8972671 0.86 ACACB (0.41) CYP1A2ACACBFFAR1KDM4EALDH1A1
SCHEMBL8972851 0.86 MEN1 (0.42) ACACBFFAR1ALDH1A1MAPTESR1
SCHEMBL8961086 0.86 ACACB (0.41) ACACBFFAR1ALDH1A1
SCHEMBL8961018 0.86 HAO1 (0.38) ACACBFFAR1KDM4EALDH1A1HPGD
SCHEMBL8961011 0.86 KDM4E (0.44) ACACBFFAR1KDM4EALDH1A1HPGD

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