SCHEMBL9325969

SCHEMBL9325969

COC(=O)C1Oc2ccccc2C2(CC2)c2ccccc2O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ITGA4 P13612 1/20 0.43
AKR1B1 P15121 1/20 0.39
BACE1 P56817 1/20 0.39
CYP2C19 P33261 3/20 0.38
CYP2C9 P11712 3/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.35
CYP1A2 P05177 1/20 0.35
TSHR P16473 1/20 0.35
ATM Q13315 1/20 0.34
ALOX5 P09917 1/20 0.34

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
SCHEMBL9329074 0.90 LPAR1 (0.39) ALDH1A1MAPTITGA4KMT2ACYP3A4
SCHEMBL9327296 0.89 CYP1A2 (0.38) ALDH1A1MAPTITGA4BACE1CYP2C19
SCHEMBL9328737 0.89 KMT2A (0.36) ALDH1A1MAPTITGA4AKR1B1BACE1
SCHEMBL9327105 0.88 AKR1B1 (0.39) ALDH1A1MAPTITGA4AKR1B1BACE1
SCHEMBL9325886 0.86 ALDH1A1 (0.46) ALDH1A1MAPTITGA4AKR1B1BACE1
SCHEMBL9327161 0.85 TSHR (0.36) ALDH1A1MAPTITGA4CYP2C19CYP2C9
SCHEMBL9327066 0.84 P2RX4 (0.38) ALDH1A1MAPTITGA4AKR1B1TSHR
SCHEMBL440743 0.82 ALDH1A1 (0.42) ALDH1A1MAPTITGA4KMT2AMEN1
SCHEMBL9326002 0.81 POLB (0.51) AKR1B1CYP2C19CYP2C9CYP2D6HTT
SCHEMBL9328973 0.79 ALDH1A1 (0.41) ALDH1A1MAPTITGA4AKR1B1CYP2C19

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-5158597-A Herbicidal 12-substituted 12H-dibenzo[d,g]dioxocin-6-carboxylic acids THE DOW CHEMICAL COMPANY (US) 1992-10-27 US claimed
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 claimed
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