SCHEMBL9327385

SCHEMBL9327385

CC(c1ccccc1O)c1cccc(Cl)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.50
GABRB2 P47870 2/20 0.50
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
LMNA P02545 2/20 0.42
HPGD P15428 2/20 0.42
FAAH O00519 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRG2 P18507 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
HTR2B P41595 1/20 0.42

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
SCHEMBL13220411 0.86 GABRA1 (0.60) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL51565 0.82 GABRA1 (0.71) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL29440398 0.82 GABRA1 (0.71) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL13596606 0.79 TRPA1 (0.54) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL2047945 0.78 GABRA1 (0.70) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL7786826 0.78 HPGD (0.54) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL19779505 0.76 TSHR (0.57) GABRA1GABRB2TSHRALDH1A1CYP1A2
SCHEMBL28490762 0.75 LMNA (0.50) GABRA1GABRB2TSHRALDH1A1CYP3A4
SCHEMBL16328212 0.75 CA2 (0.53) GABRA1GABRB2TSHRALDH1A1CYP1A2
2-Chlorophenol SCHEMBL8466384 0.75 GABRA1 (0.75) GABRA1GABRB2TSHRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0403026-B1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DOWELANCO (US) 1994-03-02 EP disclosed
US-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US disclosed
US-5071465-A Preemergence; postemergence THE DOW CHEMICAL COMPANY (US) 1991-12-10 US disclosed
US-4999448-A ALKYLATION WITH PHENYLTHIOMETHYL LITHIUM COMPOUND, CYCLIZATION, INTERMEDIATES FOR HERBICIDES THE DOW CHEMICAL COMPANY (US) 1991-03-12 US disclosed
EP-0403026-A1 12-Substituted-12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids, herbicidal compositions, and a method of controlling undesirable vegetation DowElanco (US) 1990-12-19 EP disclosed
US-4938790-A Herbicidal 12-substituted 12H-dibenzo(D,G)(1,3)dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1990-07-03 US disclosed