SCHEMBL9723351

SCHEMBL9723351

C=CC/C(=C\Cl)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
TRPA1 O75762 1/20 0.34
MAPK1 P28482 1/20 0.34
GSK3B P49841 1/20 0.34
HIF1A Q16665 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
SCHEMBL727277 1.00 AKT1 (0.39) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL9596280 0.81 AKT1 (0.40) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL11673299 0.81 AKT1 (0.40) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL11673293 0.81 AKT1 (0.40) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL1076032 0.81 AKT1 (0.40) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL11048295 0.79 AKT1 (0.39) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL6438770 0.79 AKT1 (0.39) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL476634 0.79 MAOA (0.53) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL11048275 0.79 AKT1 (0.39) AKT1HDAC1HDAC2HDAC3NCOR2
SCHEMBL1076558 0.79 MAOA (0.40) AKT1HDAC1HDAC2HDAC3NCOR2

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
WO-2019015599-A1 OXIDATIVE CLEAVAGE OF OLEFINS, EPOXIDES AND ALCOHOLS RHODIA OPERATIONS (FR) 2019-01-24 WO disclosed
US-5086189-A PROCESS FOR THE MANUFACTURE OF EPOXIDES INTEROX (SOCIETE ANONYME) (BE) 1992-02-04 US disclosed
EP-0068564-A1 Process for the preparation of epoxides INTEROX Société Anonyme (BE) 1983-01-05 EP disclosed