SCHEMBL3044017

SCHEMBL3044017

O=C1C(Cl)=C(Cl)C(=O)C(Cc2ccccc2)=C1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAPK1 P28482 1/20 0.48
CALM1 P0DP23 1/20 0.48
IDO1 P14902 1/20 0.46
DNMT1 P26358 1/20 0.46
DNMT3L Q9UJW3 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.46
CTRC Q99895 3/20 0.44
TYMP P19971 1/20 0.43
ELANE P08246 2/20 0.41
F2 P00734 1/20 0.41
PLG P00747 1/20 0.41
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
PTPN1 P18031 1/20 0.41
NSD2 O96028 1/20 0.40
HSP90AA1 P07900 1/20 0.40
G6PD P11413 1/20 0.40

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
SCHEMBL17250099 0.79 MAPK1 (0.56) HIF1ACYP1A2CYP2C9MAPK1IDO1
SCHEMBL28166599 0.77 PTPN1 (0.42) HIF1ACYP1A2CYP2C9MAPK1CALM1
SCHEMBL28800705 0.76 CYP2C9 (0.47) HIF1ACYP1A2CYP2C9MAPK1CALM1
SCHEMBL9642148 0.72 IDO1 (0.52) HIF1ACYP1A2CYP2C9MAPK1CALM1
SCHEMBL27623517 0.71 MAOA (0.57) HIF1ACYP1A2CYP2C9MAPK1CALM1
SCHEMBL305339 0.71 CALM1 (0.52) HIF1ACYP1A2CYP2C9MAPK1CALM1
Diphenylmethane SCHEMBL11123174 0.71 CALM1 (0.52) CALM1CTRCTYMPELANEF2
Diphenylmethane SCHEMBL27942273 0.70 CALM1 (0.67) CALM1CTRCELANEF2PLG
SCHEMBL9242276 0.70 POLB (0.53) HIF1ACYP1A2MAPK1IDO1DNMT1
SCHEMBL3040732 0.70 TBXAS1 (0.50) HIF1ACYP1A2CYP2C9MAPK1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799204-B2 Voltammetric Ion Sensor OXFORD BIOSENSORS LIMITED (GB) 2010-09-21 US disclosed
US-20080011606-A1 Voltammetric Ion Sensor ROCHE DIAGNOSTICS OPERATIONS, INC. 2008-01-17 US disclosed
EP-1800116-A1 VOLTAMMETRIC ION SENSOR Oxford Biosensors Limited (GB) 2007-06-27 EP disclosed
WO-2006040588-A1 VOLTAMMETRIC ION SENSOR OXFORD BIOSENSORS LIMITED (GB) 2006-04-20 WO disclosed
US-20040251133-A1 Voltammetric ion-selective biosensor ROCHE DIAGNOSTICS OPERATIONS, INC. 2004-12-16 US disclosed
EP-1421374-A2 VOLTAMMETRIC ION-SELECTIVE BIOSENSOR Oxford Biosensors Limited (GB) 2004-05-26 EP disclosed
WO-2003012417-A2 VOLTAMMETRIC ION-SELECTIVE BIOSENSOR OXFORD BIOSENSORS LIMITED (GB) 2003-02-13 WO disclosed