SCHEMBL9396186

SCHEMBL9396186

Clc1cc(Cl)c(CBr)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.38
AHR P35869 2/20 0.38
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP3A4 P08684 2/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
IDO1 P14902 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
FLT1 P17948 1/20 0.30

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
SCHEMBL9292254 0.94 ALOX15 (0.36) MAPK1CYP3A4ALOX15ALOX12IDO1
SCHEMBL3311060 0.88 AHR (0.35) MAPK1AHRHPGDTSHRHSD17B10
SCHEMBL29472350 0.88 AHR (0.35) MAPK1AHRHPGDTSHRHSD17B10
SCHEMBL16860939 0.81 AHR (0.31) AHRALOX15ALOX12
SCHEMBL670879 0.81 AHR (0.41) AHRALOX15ALOX12
SCHEMBL25448692 0.79 HSD17B10 (0.52) MAPK1HPGDTSHRHSD17B10CYP3A4
SCHEMBL488821 0.79 GPR84 (0.37) CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17466153 0.79 CD44 (0.41) HSD17B10CYP3A4ALOX15ALOX12CYP1A2
SCHEMBL30030017 0.76 DPP4 (0.33) HPGDALOX15ALOX12
SCHEMBL23214736 0.76 HSD17B10 (0.48) MAPK1HPGDTSHRHSD17B10CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300503-A Larvicides FMC CORPORATION (US) 1994-04-05 US disclosed
US-4405357-A Herbicidal 3-isoxazolidinones and hydroxamic acids FMC CORPORATION (US) 1983-09-20 US disclosed
EP-0000002-B1 TETRAHYDROFURANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-08-26 EP disclosed
US-4282388-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
EP-0002214-B1 BENZYL ETHERS OF CYCLIC 1,2-DIOLS, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-05-13 EP disclosed
EP-0002214-A1 Benzyl ethers of cyclic 1,2-diols, methods for their preparation and their use as herbicides BAYER AG (DE) 1979-06-13 EP disclosed
US-4146384-A Tetrahydrofuran-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
EP-0000002-A1 Tetrahydrofurane derivatives, processes for their preparation and their use as herbicides BAYER AG (DE) 1978-12-20 EP disclosed