SCHEMBL11023328

SCHEMBL11023328

NCCCCNCC=Cc1ccc(O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1B1 P15121 1/20 0.40
MAOB P27338 1/20 0.40
PTGS2 P35354 1/20 0.40
GLO1 Q04760 1/20 0.40
CAMK2A Q9UQM7 1/20 0.40
APP P05067 2/20 0.39
PAOX Q6QHF9 1/20 0.39
GRIA1 P42261 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
S1PR1 P21453 2/20 0.37
S1PR3 Q99500 1/20 0.37
CA12 O43570 1/20 0.36
F13A1 P00488 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL30694750 0.98 GRIA1 (0.40) ESR1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL9440460 0.97 GRIA1 (0.39) ESR1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL29176161 0.83 PRMT1 (0.50) PAOXKDM4EALDH1A1S1PR1S1PR3
SCHEMBL11032133 0.83 PRMT1 (0.50) PAOXKDM4EALDH1A1S1PR1S1PR3
SCHEMBL28520466 0.82 PRMT1 (0.49) PAOXKDM4EALDH1A1S1PR1S1PR3
SCHEMBL30694747 0.82 PRMT1 (0.49) PAOXKDM4EALDH1A1S1PR1S1PR3
SCHEMBL30423565 0.82 ESR1 (0.36) ESR1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL30664480 0.81 ESR1 (0.42) ESR1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL8756586 0.76 APP (0.44) ESR1AKR1B10AKR1B1MAOBPTGS2
SCHEMBL8756509 0.76 APP (0.44) ESR1AKR1B10AKR1B1MAOBPTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0097096-B1 PROCESS FOR THE PREPARATION OF PHENOL AMIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1985-08-28 EP disclosed
EP-0097096-A1 Process for the preparation of phenol amides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1983-12-28 EP disclosed
WO-1983004411-A1 METHOD FOR THE PREPARATION OF PHENOLAMIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS (FR) 1983-12-22 WO disclosed