SCHEMBL8961159

SCHEMBL8961159

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
CYP1B1 Q16678 2/20 0.36
CYP1A1 P04798 1/20 0.36
ESR1 P03372 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 1/20 0.35
PTPN7 P35236 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34

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 0.86 FFAR1 (0.48) FFAR1KDM4EALDH1A1HPGDABCB1
SCHEMBL8961296 0.85 CYP1A1 (0.47) TBXA2RPTGER4PTGFRPTGER3PTGER2
SCHEMBL8960972 0.84 KDM4E (0.39) TBXA2RPTGER4PTGFRPTGER3PTGER2
SCHEMBL8961303 0.83 NPC1 (0.43) MEN1KMT2AFFAR1TDP1NPC1
SCHEMBL8961060 0.83 ACACB (0.42) MEN1KMT2AFFAR1TDP1NPC1
SCHEMBL9128248 0.83 NPC1 (0.43) MEN1KMT2AFFAR1TDP1NPC1
SCHEMBL8961086 0.82 ACACB (0.41) FFAR1ALDH1A1
SCHEMBL8961011 0.82 KDM4E (0.44) MEN1KMT2AFFAR1KDM4EALDH1A1
SCHEMBL8972851 0.82 MEN1 (0.42) ESR1MEN1KMT2AFFAR1ALDH1A1
SCHEMBL8961018 0.82 HAO1 (0.38) TBXA2RPTGER4PTGFRPTGER3PTGER2

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