SCHEMBL9329017

SCHEMBL9329017

O=C(O)C1Oc2ccccc2C2(CC2)c2cccc(Cl)c2O1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
AHR P35869 2/20 0.36
HRH1 P35367 5/20 0.36
HTR2A P28223 4/20 0.36
PTGS2 P35354 1/20 0.35
HTR2B P41595 2/20 0.34
HTR2C P28335 1/20 0.34
HDAC4 P56524 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CA2 P00918 1/20 0.32
RAB9A P51151 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
SCHEMBL9326002 0.86 POLB (0.51) AKR1B1CRHBPCRHR2POLBCASP6
SCHEMBL9723534 0.85 AKR1B1 (0.37) AKR1B1CRHBPCRHR2POLBCASP6
SCHEMBL9327105 0.85 AKR1B1 (0.39) AKR1B1CRHBPCRHR2AHRHRH1
SCHEMBL9723392 0.85 POLB (0.40) AKR1B1POLBCASP6HDAC4
SCHEMBL9327155 0.76 POLB (0.35) AKR1B1POLBCASP6RAB9A
SCHEMBL9327360 0.75 POLB (0.44) AKR1B1POLBCASP6MEN1KMT2A
SCHEMBL10470236 0.75 POLB (0.43) AKR1B1CRHBPCRHR2POLBCASP6
SCHEMBL9327296 0.72 CYP1A2 (0.38) RAB9A
SCHEMBL9328737 0.72 KMT2A (0.36) AKR1B1HDAC4MEN1KMT2A
SCHEMBL9327109 0.71 POLB (0.55) AKR1B1CRHBPCRHR2POLBCASP6

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
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
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