SCHEMBL9327353

SCHEMBL9327353

CCC1c2ccccc2OC(C(=O)OC)Oc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.41
KMT2A Q03164 8/20 0.39
MEN1 O00255 6/20 0.39
ATM Q13315 1/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
KCNH2 Q12809 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 1/20 0.37
CASP6 P55212 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL9329510 0.85 POLB (0.51) L3MBTL1KMT2AMEN1USP2POLB
SCHEMBL9327364 0.84 ATM (0.38) L3MBTL1KMT2AMEN1ATMUSP2
SCHEMBL440743 0.83 ALDH1A1 (0.42) L3MBTL1KMT2AMEN1POLBMAPT
Bicarbonate SCHEMBL7904308 0.75 KMT2A (0.44) L3MBTL1KMT2AMEN1ATMUSP2
SCHEMBL9328973 0.75 ALDH1A1 (0.41) L3MBTL1KMT2AMEN1ATMPKM
SCHEMBL9325886 0.74 ALDH1A1 (0.46) KMT2AMEN1ATMPOLBMAPT
SCHEMBL9752005 0.74 MAOA (0.42) L3MBTL1KMT2AATMPOLBMAPT
SCHEMBL9327269 0.74 HRH2 (0.39) L3MBTL1KMT2AMAPTCHRM2KCNH2
SCHEMBL1077580 0.72 MAOA (0.52) L3MBTL1KMT2AMEN1ATMUSP2
SCHEMBL29737271 0.72 MAOA (0.52) L3MBTL1KMT2AMEN1ATMUSP2

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