SCHEMBL6861156

SCHEMBL6861156

Oc1cc(Cl)c(-c2cc(Cl)c(Cl)cc2Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.78
TSHR P16473 7/20 0.78
HPGD P15428 6/20 0.78
AHR P35869 3/20 0.67
MAPK1 P28482 2/20 0.67
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSP90AA1 P07900 2/20 0.42
CASP1 P29466 1/20 0.39
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
ADRA1A P35348 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL9731778 0.94 HSD17B10 (0.68) HSD17B10TSHRHPGDAHRMAPK1
SCHEMBL9732416 0.89 AHR (0.67) HSD17B10TSHRHPGDAHRMAPK1
Triclofenol SCHEMBL29387498 0.88 HSD17B10 (1.00) HSD17B10TSHRHPGDAHRMAPK1
Triclofenol SCHEMBL1338 0.88 HSD17B10 (1.00) HSD17B10TSHRHPGDAHRMAPK1
Triclofenol SCHEMBL2813598 0.85 HSD17B10 (0.93) HSD17B10TSHRHPGDAHRMAPK1
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL29367365 0.82 AHR (1.00) HSD17B10TSHRHPGDAHRMAPK1
2,2',4,4',5,5'-Hexachlorobiphenyl SCHEMBL258301 0.82 AHR (1.00) HSD17B10TSHRHPGDAHRMAPK1
SCHEMBL48305 0.82 HSD17B10 (0.86) HSD17B10TSHRHPGDMAPK1CYP3A4
SCHEMBL69259 0.78 HSD17B10 (0.80) HSD17B10TSHRHPGDAHRMAPK1
SCHEMBL10357236 0.77 HSD17B10 (0.67) HSD17B10TSHRHPGDMAPK1CYP3A4

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-6794168-B1 USING MONOOXYGENASE ENZYME P450CAM; MAY BE CARRIED OUT IN CELLS, ANIMALS OR PLANTS; FOR REDUCING ENVIRONMENTAL POLLUTION ISIS INNOVATION LIMITED (GB) 2004-09-21 US disclosed
EP-1190067-A1 PROCESS FOR OXIDISING AROMATIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2002-03-27 EP disclosed
US-6204005-B1 ACCURATE AND SENSITIVE QUALITATIVE OR QUANTITATIVE ANALYSIS BY INCUBATING ANTIBODIES AND COMPETITOR OF DEFINED STRUCTURE IN PRESENCE OF TEST SAMPLE, THEN DETECTING CONGENER ECOCHEM RESEARCH, INC. 2001-03-20 US disclosed
WO-2000078973-A1 PROCESS FOR OXIDISING AROMATIC COMPOUNDS ISIS INNOVATION LIMITED (GB) 2000-12-28 WO disclosed
US-5538852-A QUALITATIVE OR QUANTITATIVE ANALYSIS WITH COMPETITORS AND ANTIBODIES ECOCHEM RESEARCH, INC. (US) 1996-07-23 US disclosed
US-5145790-A Immunoassay, fluorescein derivative ABBOTT LABORATORIES (US) 1992-09-08 US disclosed
EP-0455058-A2 Reagents and method for detecting polychlorinated biphenyls ABBOTT LABORATORIES (US) 1991-11-06 EP disclosed