SCHEMBL7835396

SCHEMBL7835396

COC(=O)C(C)Oc1ccc(C=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.59
ALDH1A1 P00352 4/20 0.50
CYP2A6 P11509 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
ALDH2 P05091 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DRD1 P21728 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
TAS1R2 Q8TE23 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL4250581 0.87 KMT2A (0.58) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL10950258 0.83 LMNA (0.57) ALDH1A3ALDH1A1CYP2A6MEN1KMT2A
SCHEMBL10455042 0.82 ALDH1A3 (0.63) ALDH1A3ALDH1A1CYP2A6KMT2ADRD1
SCHEMBL1811263 0.82 ALDH1A3 (0.63) ALDH1A3ALDH1A1CYP2A6KMT2ADRD1
SCHEMBL1949658 0.82 SRC (0.47) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL2174549 0.82 SRC (0.47) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL9063033 0.82 CYP1A2 (0.59) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL11402555 0.82 TAS1R3 (0.65) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL16728392 0.82 TAS1R3 (0.65) ALDH1A1MEN1KMT2AMAPTALDH2
SCHEMBL2558483 0.81 ALDH1A3 (0.58) ALDH1A3ALDH1A1CYP2A6MEN1KMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4528394-A Preparation of hydroxyaromatic ethers THE DOW CHEMICAL COMPANY (US) 1985-07-09 US claimed
EP-0656892-B1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORP (US) 2001-06-13 EP disclosed
US-5798316-A GRASS OR BROADLEAF CONTROLLING AGENTS FMC CORPORATION 1998-08-25 US disclosed
US-5674810-A MIXTURE OF TWO HERBICIDES WITH DIFFERENT STRUCTURES, CARRIER FMC CORPORATION (US) 1997-10-07 US disclosed
WO-1997008953-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1997-03-13 WO disclosed
EP-0656892-A1 HERBICIDAL 2- (4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1995-06-14 EP disclosed
US-5344812-A 1-methyl-6 -trifluoromethyl-2,4-pyrimidinedione-3-yl derivative as plant growth regulators FMC CORPORATION (US) 1994-09-06 US disclosed
CN-1083479-A 2-[(4-heterocycle-phenoxymethyl) phenoxy group] the alkanoates weedicide FMC CORP (US) 1994-03-09 CN disclosed
WO-1994004514-A1 HERBICIDAL 2-[(4-HETEROCYCLIC-PHENOXYMETHYL)PHENOXY]-ALKANOATES FMC CORPORATION (US) 1994-03-03 WO disclosed
US-5262390-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1993-11-16 US disclosed
US-4528394-A Preparation of hydroxyaromatic ethers THE DOW CHEMICAL COMPANY (US) 1985-07-09 US disclosed
US-4169720-A 2-[4-(4-Chlorophenoxymethyl)-phenoxy]-propionic acid compounds as herbicides CELAMERCK GMBH & CO. KG (DE) 1979-10-02 US disclosed