SCHEMBL6825519

SCHEMBL6825519

Cc1c(O)c(C)c(Br)c(CBr)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
PTPN1 P18031 1/20 0.35
DRD4 P21917 2/20 0.33
MAPK1 P28482 1/20 0.32
RECQL P46063 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
SCHEMBL9173262 0.90 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9167375 0.85 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9174658 0.84 CA1 (0.35) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9174204 0.81 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9503945 0.81 CA1 (0.55) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9503900 0.81 ALDH1A1 (0.39) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL9174858 0.80 CA1 (0.37) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL6825433 0.79 DRD4 (0.56) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL10612238 0.79 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HIF1AHSD17B10
SCHEMBL4602229 0.79 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HIF1AHSD17B10

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0260443-B1 NEW MONOMERS AND OLIGOMERS CONTAINING A PLURALITY OF VINYLBENZYL ETHER GROUPS, METHOD FOR THEIR PREPARATION AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP claimed
EP-0260434-B1 META-HALO-PHENOLIC ALKYLATION PRODUCTS AND EPOXY SYSTEMS THE DOW CHEMICAL COMPANY (US) 1991-08-07 EP claimed
WO-1989001466-A1 META-HALO-PHENOLIC ALKYLATION PRODUCTS AND EPOXY SYSTEMS THE DOW CHEMICAL COMPANY (US) 1989-02-23 WO claimed
EP-0260443-A2 New monomers and oligomers containing a plurality of vinylbenzyl ether groups, method for their preparation and cured products therefrom THE DOW CHEMICAL COMPANY (US) 1988-03-23 EP claimed
EP-0260434-A1 Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-23 EP claimed
US-4731423-A Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-15 US claimed
US-4707558-A USING A POLAR APPOTIC SOLVENT TO REACT AN ALKALI METAL PHENOXIDE BASED ON A POLYHYDROXY COMPOUND WITH A VINYLBENZYL HALIDE THE DOW CHEMICAL COMPANY (US) 1987-11-17 US claimed
EP-0243869-A2 Process for the preparation of di-ortho-substituted di-meta-halogenated para-halomethylphenols THE DOW CHEMICAL COMPANY (US) 1987-11-04 EP claimed
US-4684752-A HALOGENATION THE DOW CHEMICAL COMPANY (US) 1987-08-04 US claimed
WO-2004073612-A2 ESTROGEN RECEPTOR MODULATORS MERCK & CO. INC. (US) 2004-09-02 WO disclosed
EP-0379940-B1 Glycidyl derivatives of 2,6-dibromo-3,5-dialkyl-4-hydroxybenzyl ethers CIBA GEIGY AG (CH) 1999-03-03 EP disclosed
EP-0427959-B1 Meta-halogenated dibenzylphenols DOW CHEMICAL CO (US) 1995-06-14 EP disclosed
EP-0243869-B1 PROCESS FOR THE PREPARATION OF DI-ORTHO-SUBSTITUTED DI-META-HALOGENATED PARA-HALOMETHYLPHENOLS THE DOW CHEMICAL COMPANY (US) 1992-06-17 EP disclosed
EP-0260443-B1 NEW MONOMERS AND OLIGOMERS CONTAINING A PLURALITY OF VINYLBENZYL ETHER GROUPS, METHOD FOR THEIR PREPARATION AND CURED PRODUCTS THEREFROM THE DOW CHEMICAL COMPANY (US) 1992-01-08 EP disclosed
US-4731423-A Meta-halo-phenolic alkylation products and epoxy systems THE DOW CHEMICAL COMPANY (US) 1988-03-15 US disclosed
US-4707558-A USING A POLAR APPOTIC SOLVENT TO REACT AN ALKALI METAL PHENOXIDE BASED ON A POLYHYDROXY COMPOUND WITH A VINYLBENZYL HALIDE THE DOW CHEMICAL COMPANY (US) 1987-11-17 US disclosed
EP-0243869-A2 Process for the preparation of di-ortho-substituted di-meta-halogenated para-halomethylphenols THE DOW CHEMICAL COMPANY (US) 1987-11-04 EP disclosed
EP-0243869-A2 Process for the preparation of di-ortho-substituted di-meta-halogenated para-halomethylphenols THE DOW CHEMICAL COMPANY (US) 1987-11-04 EP disclosed
US-4684752-A HALOGENATION THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed
US-4684752-A HALOGENATION THE DOW CHEMICAL COMPANY (US) 1987-08-04 US disclosed