SCHEMBL9327161

SCHEMBL9327161

COC(=O)C1Oc2ccccc2C2(CC2)c2ccc(OC)c(OC)c2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 5/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ITGA4 P13612 1/20 0.33
GAA P10253 1/20 0.33
PARP1 P09874 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL9327155 0.90 POLB (0.35) TSHRPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL9327296 0.89 CYP1A2 (0.38) TSHRPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL9325969 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPTHTTCYP1A2
SCHEMBL9328737 0.82 KMT2A (0.36) ALDH1A1MAPTHTTCYP3A4CYP2D6
SCHEMBL9327105 0.81 AKR1B1 (0.39) TSHRALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL10470284 0.79 GABRA1 (0.39) TSHRPKMALDH1A1MAPTSMN1; SMN2
SCHEMBL9329074 0.78 LPAR1 (0.39) ALDH1A1MAPTSMN1; SMN2L3MBTL1RAB9A
SCHEMBL9325886 0.73 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHTTCYP3A4
SCHEMBL9327066 0.71 P2RX4 (0.38) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL440743 0.69 ALDH1A1 (0.42) TSHRALDH1A1MAPTL3MBTL1RAB9A

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 5 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-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