SCHEMBL8960972

SCHEMBL8960972

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ACACB O00763 1/20 0.38
FFAR1 O14842 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.36
ABCB1 P08183 1/20 0.36
TBXA2R P21731 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
PTGDR Q13258 1/20 0.35
MAPT P10636 2/20 0.35
APP P05067 1/20 0.35
AKR1C3 P42330 1/20 0.35
ESR1 P03372 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 0.89 FFAR1 (0.48) KDM4EALDH1A1HPGDACACBFFAR1
SCHEMBL8961296 0.88 CYP1A1 (0.47) KDM4EALDH1A1HPGDACACBFFAR1
SCHEMBL8961011 0.87 KDM4E (0.44) KDM4EALDH1A1HPGDACACBFFAR1
SCHEMBL8961303 0.86 NPC1 (0.43) ACACBFFAR1CYP1A2APPMEN1
SCHEMBL9128248 0.86 NPC1 (0.43) ACACBFFAR1CYP1A2APPMEN1
SCHEMBL8961060 0.86 ACACB (0.42) ACACBFFAR1AKR1C3MEN1KMT2A
SCHEMBL8961266 0.85 FFAR1 (0.39) KDM4EALDH1A1HPGDACACBFFAR1
SCHEMBL8973413 0.85 HAO1 (0.41) ACACBFFAR1LMNA
SCHEMBL8961018 0.85 HAO1 (0.38) KDM4EALDH1A1HPGDACACBFFAR1
SCHEMBL8972851 0.85 MEN1 (0.42) ALDH1A1ACACBFFAR1MAPTESR1

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