SCHEMBL9328973

SCHEMBL9328973

CCC1(C)c2ccccc2OC(C(=O)OC)Oc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 1/20 0.41
ITGA4 P13612 1/20 0.41
AKR1B1 P15121 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
ALOX5 P09917 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL9325886 0.86 ALDH1A1 (0.46) ALDH1A1MAPTITGA4AKR1B1KMT2A
SCHEMBL9327288 0.84 POLB (0.47) ALDH1A1AKR1B1KMT2AMEN1MAPK1
SCHEMBL9325969 0.79 ALDH1A1 (0.43) ALDH1A1MAPTITGA4AKR1B1KMT2A
SCHEMBL440743 0.79 ALDH1A1 (0.42) ALDH1A1MAPTITGA4KMT2AMEN1
SCHEMBL9752020 0.77 TSHR (0.48) ALDH1A1MAPTAKR1B1KMT2AMEN1
SCHEMBL11377149 0.75 HTT (0.43) ALDH1A1MAPTITGA4AKR1B1KMT2A
SCHEMBL9327353 0.75 L3MBTL1 (0.41) ALDH1A1MAPTKMT2AMEN1CYP2D6
SCHEMBL9329074 0.71 LPAR1 (0.39) ALDH1A1MAPTITGA4KMT2AMEN1
SCHEMBL9327364 0.71 ATM (0.38) ALDH1A1MAPTITGA4KMT2AMEN1
SCHEMBL9752005 0.71 MAOA (0.42) ALDH1A1MAPTITGA4KMT2AMAPK1

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