SCHEMBL4241015

SCHEMBL4241015

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

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.61
KDM4E B2RXH2 1/20 0.57
SRC P12931 1/20 0.51
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP2C19 P33261 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 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
SCHEMBL1714794 0.87 PTGDR2 (0.68) PTGDR2KDM4ESRCTSHRTDP1
SCHEMBL27299068 0.84 MAPT (0.56) PTGDR2KDM4ESRCTDP1GAA
SCHEMBL7284155 0.82 PTGDR2 (0.63) PTGDR2TSHRLMNASMN1; SMN2L3MBTL1
SCHEMBL5302743 0.82 PTGDR2 (0.63) PTGDR2KDM4ETSHRTDP1POLB
SCHEMBL7840891 0.81 ALDH1A1 (0.63) PTGDR2KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL8591673 0.81 PTGDR2 (0.58) PTGDR2KDM4ETSHRTDP1POLB
SCHEMBL29707984 0.81 ALDH1A1 (0.63) PTGDR2KDM4ELMNAPOLBSMN1; SMN2
SCHEMBL320418 0.81 PTGDR2 (0.66) PTGDR2KDM4ETSHRTDP1LMNA
SCHEMBL4232553 0.81 PTGDR2 (0.61) PTGDR2TSHRTDP1
SCHEMBL4380943 0.80 CYP2C19 (0.61) PTGDR2KDM4EHTTPOLBSMN1; SMN2

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
WO-2009081222-A1 SUBSTITUTED TRICYCLIC PYRIDINE OR PYRIMIDINE VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-02 WO disclosed
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
US-5262390-A PLANT GROWTH REGULATORS FMC CORPORATION (US) 1993-11-16 US disclosed