SCHEMBL4553528

SCHEMBL4553528

Oc1ccc(Oc2ccc(CF)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.64
ESR2 Q92731 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
LTA4H P09960 7/20 0.57
NR1H2 P55055 1/20 0.54
BAX Q07812 1/20 0.54
PARP10 Q53GL7 1/20 0.45
CALM1 P0DP23 1/20 0.44
APP P05067 1/20 0.44
IDO1 P14902 1/20 0.43

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
SCHEMBL9508788 0.88 ST14 (0.48) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL1660264 0.85
SCHEMBL27605661 0.83 ESR1 (0.55) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL27511812 0.83 ESR1 (0.55) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL12804316 0.81 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL5488305 0.81 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL12804905 0.81 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL14421265 0.81 ESR1 (0.70) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL18198 0.80 ESR2 (1.00) ESR1ESR2MEN1KMT2ALTA4H
SCHEMBL249169 0.80 ESR2 (1.00) ESR1ESR2MEN1KMT2ALTA4H

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-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US claimed
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