SCHEMBL7848040

SCHEMBL7848040

Cc1ccc(CCl)c(OCC(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
TSHR P16473 3/20 0.48
CYP2C19 P33261 1/20 0.47
MAPT P10636 1/20 0.45
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL7843044 0.85 PTGDR2 (0.59) PTGDR2KDM4ETDP1TSHRMAPT
SCHEMBL27298156 0.84 LMNA (0.54) PTGDR2KDM4ETDP1TSHRCYP2C19
SCHEMBL17897050 0.84 PTGDR2 (0.54) PTGDR2KDM4ETDP1TSHRCYP2C19
SCHEMBL7255305 0.83 TSHR (0.58) PTGDR2KDM4ETDP1TSHRHTT
SCHEMBL8804635 0.81 LMNA (0.54) PTGDR2TSHRLMNAPOLBSMN1; SMN2
SCHEMBL320418 0.81 PTGDR2 (0.66) PTGDR2KDM4ETDP1TSHRCYP2C19
SCHEMBL1324243 0.80 TDP1 (0.70) PTGDR2KDM4ETDP1TSHRCYP2C19
SCHEMBL16742711 0.80 TDP1 (0.60) PTGDR2KDM4ETDP1TSHRCYP2C19
SCHEMBL3064143 0.80 TSHR (0.70) PTGDR2KDM4ETDP1TSHRMAPT
SCHEMBL27345939 0.78 SMN1; SMN2 (0.39) KDM4ETDP1TSHRMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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