SCHEMBL1312947

SCHEMBL1312947

O=[C]c1c(Cl)c(Cl)cc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.47
TSHR P16473 6/20 0.41
HPGD P15428 6/20 0.41
HSD17B10 Q99714 6/20 0.41
CASP1 P29466 1/20 0.41
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 4/20 0.38
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
AHR P35869 6/20 0.35
TDP1 Q9NUW8 1/20 0.34
HSP90AA1 P07900 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
EGFR P00533 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
ERBB2 P04626 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL101710 0.85 CYP3A4 (0.33) CYP3A4ALDH1A1
SCHEMBL1312705 0.83 CYP3A4 (0.50) CYP3A4TSHRHPGDHSD17B10CASP1
SCHEMBL101012 0.77 MEN1 (0.37) CYP3A4HPGDALDH1A1MAPK1MEN1
SCHEMBL10701289 0.74 MAPK1 (0.33) CYP3A4MAPK1AHRTDP1
SCHEMBL1312475 0.74 MAPK1 (0.36) CYP3A4TSHRMAPK1AHRTDP1
SCHEMBL102072 0.74 CYP3A4 (0.39) CYP3A4TSHRHPGDHSD17B10ALDH1A1
SCHEMBL1312139 0.74 MEN1 (0.42) CYP3A4HPGDALDH1A1MAPK1MEN1
SCHEMBL3242745 0.71 CYP2A6 (0.41) CYP3A4HPGDHSD17B10ALDH1A1AHR
SCHEMBL102019 0.71 MEN1 (0.47) CYP3A4HPGDALDH1A1MAPK1MEN1
SCHEMBL94929 0.71 ALDH1A1 (0.45) CYP3A4TSHRHPGDHSD17B10CASP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9234087-B2 Preparation for initiating radical reactions UNITED INITIATORS GMBH & CO. KG (DE) 2016-01-12 US claimed
EP-2288652-B1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO KG (DE) 2012-09-19 EP claimed
EP-2130858-B1 Preparations to initiate radical reactions UNITED INITIATORS GMBH & CO KG (DE) 2012-07-25 EP claimed
US-20110272628-A1 Preparation For Initiating Radical Reactions UNITED INITIATORS GMBH (DE) 2011-11-10 US claimed
EP-2288652-A1 PREPARATION FOR INITIATING RADICAL REACTIONS United Initiators GmbH & Co. KG (DE) 2011-03-02 EP claimed
WO-2009146916-A1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO. KG (DE) 2009-12-10 WO claimed
EP-2130858-A1 Preparations to initiate radical reactions Degussa Initiators GmbH & Co. KG (DE) 2009-12-09 EP claimed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US claimed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP claimed
US-9234087-B2 Preparation for initiating radical reactions UNITED INITIATORS GMBH & CO. KG (DE) 2016-01-12 US disclosed
EP-2288652-B1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO KG (DE) 2012-09-19 EP disclosed
EP-2130858-B1 Preparations to initiate radical reactions UNITED INITIATORS GMBH & CO KG (DE) 2012-07-25 EP disclosed
US-20110272628-A1 Preparation For Initiating Radical Reactions UNITED INITIATORS GMBH (DE) 2011-11-10 US disclosed
EP-2288652-A1 PREPARATION FOR INITIATING RADICAL REACTIONS United Initiators GmbH & Co. KG (DE) 2011-03-02 EP disclosed
WO-2009146916-A1 PREPARATION FOR INITIATING RADICAL REACTIONS UNITED INITIATORS GMBH & CO. KG (DE) 2009-12-10 WO disclosed
EP-2130858-A1 Preparations to initiate radical reactions Degussa Initiators GmbH & Co. KG (DE) 2009-12-09 EP disclosed
EP-2130858-A1 Preparations to initiate radical reactions Degussa Initiators GmbH & Co. KG (DE) 2009-12-09 EP disclosed
US-4868241-A POLYVINYL ALCOHOL MODIFIED WITH BENZOIC ACID DERIVATIVE AMERICAN CYANAMID COMPANY (US) 1989-09-19 US disclosed
EP-0231922-A2 Electron beam and X-ray resists AMERICAN CYANAMID COMPANY (US) 1987-08-12 EP disclosed