SCHEMBL7442264

SCHEMBL7442264

COC(=O)Oc1ccc2c(c1OC(=O)OC)CC(c1ccccc1)C=C2CN

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7442692 0.88 KMT2A (0.32)
SCHEMBL9038396 0.88 PTPN1 (0.37) KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL7317155 0.87 PTPN1 (0.36) KDM4EHPGDHSD17B10
SCHEMBL7439893 0.87
SCHEMBL7442764 0.84 GAA (0.39) KDM4E
Hydrochloric Acid SCHEMBL7493249 0.84 KMT2A (0.35) HSD17B10
SCHEMBL8829352 0.83 NCEH1 (0.40) KDM4E
SCHEMBL7310836 0.82 ACHE (0.43) KDM4EHPGD
Hydrochloric Acid SCHEMBL7310685 0.81 ACHE (0.42) KDM4EHPGD
SCHEMBL7443351 0.79 ADORA3 (0.36) KDM4E

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
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed