SCHEMBL11157201

SCHEMBL11157201

COc1ccc(C2CCCCC2)cc1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
AR P10275 3/20 0.48
HTR2A P28223 1/20 0.47
PDE4B Q07343 5/20 0.45
PDE4A P27815 3/20 0.45
PDE4C Q08493 3/20 0.45
PDE4D Q08499 3/20 0.45
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39

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
SCHEMBL27718553 0.87 MAOA (0.53) ARMAOAMAOBKMT2AXDH
SCHEMBL21876221 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL21876219 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL29372177 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EUSP2ARHTR2A
SCHEMBL18722119 0.80 USP30 (0.47) ARMAOAMAOB
SCHEMBL9325871 0.80 PDE4A (0.59) ALDH1A1KDM4EPDE4BPDE4APDE4C
SCHEMBL29038963 0.78 MAOA (0.44) ARHTR2AMAOAMAOBKMT2A
SCHEMBL7723660 0.77 PDE4B (0.49) ALDH1A1KDM4EHTR2APDE4BPDE4A
SCHEMBL4175149 0.76 CHEK1 (0.53) ARHTR2APDE4BQDPR
SCHEMBL9291610 0.76 ALDH1A1 (0.48) ALDH1A1KDM4EUSP2ARHTR2A

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
WO-1983000333-A1 ANTI-HYPERTENSOR, HETEROCYCLICALLY DI-ORTHOSUBSTITUTED PHENOLS TEULON, JEAN-MARIE 1983-02-03 WO disclosed
EP-0070779-A2 Di-ortho-substituted phenols of which one of the substitutions is a heterocycle, process for their preparation, anti-hypertensive medicines containing them and synthesis intermediates CARPIBEM (CENTRE D'ACTIVITE ET DE RECHERCHE PHARMACEUTIQUE INDUSTRIELLE BIOLOGIQUE ET MEDICALE) Société Anonyme dite: (FR) 1983-01-26 EP disclosed