SCHEMBL4552622

SCHEMBL4552622

Oc1ccccc1C1(c2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 3/20 0.50
AKR1C1 Q04828 1/20 0.47
HDAC4 P56524 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALOX5AP P20292 1/20 0.42
OPRM1 P35372 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL2046627 0.90 OPRM1 (0.45) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL12893174 0.89 ESR1 (0.68) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL2496081 0.89 ESR1 (0.68) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL2640042 0.87 ESR1 (0.46) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL379394 0.87 ESR1 (0.46) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL31490381 0.87 ESR1 (0.46) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL444739 0.85 ESR1 (0.44) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL29415365 0.85 ESR1 (0.44) ESR1ESR2AKR1C1HDAC4MEN1
SCHEMBL9838331 0.83 ESR1 (0.43) ESR1ESR2AKR1C1HDAC4MEN1
Hydrogen Peroxide SCHEMBL2349581 0.83 ESR1 (0.62) ESR1ESR2AKR1C1HDAC4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447792-A Substituted dihydro and tetrahydro oxazolopyrimidinones, preparation and use thereof SANOFI AVENTIS 2015-03-25 CN disclosed
CN-101675060-A Substituted dihydro and tetrahydro oxazolopyrimidinones, their preparation and use SANOFI AVENTIS 2010-03-17 CN disclosed
EP-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed