SCHEMBL9326077

SCHEMBL9326077

COCOc1c(C)cccc1C(O)c1ccccc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ ACHE P22303 1/20 0.39
▸ SCN8A Q9UQD0 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CHRM2 P08172 1/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ CHRM1 P11229 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ HTR1A P08908 1/20 0.37

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
SCHEMBL9327235 0.87 ALDH1A1 (0.46) PTPN1ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL10470215 0.84 ALDH1A1 (0.41) PTPN1ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL9326113 0.81 ALDH1A1 (0.43) PTPN1ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL10471387 0.79 CYP2D6 (0.48) ALDH1A1MAPTTDP1SMN1; SMN2ACHE
SCHEMBL9327275 0.79 L3MBTL1 (0.40) PTPN1ALDH1A1MAPTTDP1SMN1; SMN2
SCHEMBL18550495 0.76 ALDH1A1 (0.55) ALDH1A1MAPTSMN1; SMN2ACHEKDM4E
SCHEMBL9327424 0.76 L3MBTL1 (0.42) MAPTTDP1SMN1; SMN2ACHECYP1A2
SCHEMBL10470887 0.76 ALDH1A1 (0.42) ALDH1A1MAPTTDP1SMN1; SMN2ACHE
SCHEMBL238441 0.76 CA1 (0.57) ALDH1A1MAPTTDP1SMN1; SMN2ACHE
SCHEMBL2045587 0.75 PTPN1 (0.49) PTPN1SCN8ACYP1A2LMNA

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
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