SCHEMBL9326002

SCHEMBL9326002

O=C(O)C1Oc2ccccc2C2(CC2)c2ccccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CASP6 P55212 1/20 0.51
AKR1B1 P15121 1/20 0.42
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NISCH Q9Y2I1 1/20 0.36
HTR2A P28223 4/20 0.35
HRH1 P35367 4/20 0.35
HTR2B P41595 2/20 0.35
HTR2C P28335 1/20 0.35
AKR1C1 Q04828 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 2/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
AIMP2 Q13155 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
SCHEMBL9327360 0.87 POLB (0.44) POLBCASP6AKR1B1GAA
SCHEMBL9723392 0.86 POLB (0.40) POLBCASP6AKR1B1KDM4EGAA
SCHEMBL9329017 0.86 AKR1B1 (0.42) POLBCASP6AKR1B1CRHBPCRHR2
SCHEMBL9327109 0.82 POLB (0.55) POLBCASP6AKR1B1CRHBPCRHR2
SCHEMBL9325969 0.81 ALDH1A1 (0.43) AKR1B1CYP2C19HTTCYP1A2CYP2D6
SCHEMBL9327155 0.80 POLB (0.35) POLBCASP6AKR1B1KDM4EGAA
SCHEMBL9723534 0.79 AKR1B1 (0.37) POLBCASP6AKR1B1CRHBPCRHR2
SCHEMBL2547829 0.79 POLB (0.69) POLBCASP6AKR1B1NISCHCYP2C19
SCHEMBL29606554 0.79 POLB (0.69) POLBCASP6AKR1B1NISCHCYP2C19
SCHEMBL9327330 0.79 AKR1B1 (0.40) POLBCASP6AKR1B1CRHBPCRHR2

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