SCHEMBL4711880

SCHEMBL4711880

CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.95
ALDH1A1 P00352 8/20 0.95
HSD17B10 Q99714 6/20 0.95
GLA P06280 5/20 0.95
GAA P10253 5/20 0.95
KMT2A Q03164 5/20 0.95
MAPT P10636 5/20 0.95
MEN1 O00255 4/20 0.95
CASP1 P29466 3/20 0.95
CASP7 P55210 2/20 0.95
LMNA P02545 1/20 0.95
HPGD P15428 6/20 0.69
TSHR P16473 4/20 0.65
POLB P06746 1/20 0.65
FHIT P49789 2/20 0.64
GFER P55789 1/20 0.62
GBA1 P04062 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
RXFP1 Q9HBX9 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL6491279 0.89 ALDH1A1 (0.76) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4712732 0.85 ALDH1A1 (0.70) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4712728 0.84 KDM4E (0.69) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4710609 0.82 FHIT (0.71) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4711017 0.82 KDM4E (0.95) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4713044 0.82 ALDH1A1 (0.95) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4709176 0.81 ALDH1A1 (0.64) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4709622 0.81 KDM4E (0.67) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL8246397 0.81 ALDH1A1 (0.79) KDM4EALDH1A1HSD17B10GLAGAA
SCHEMBL4710697 0.80 FHIT (0.76) KDM4EALDH1A1HSD17B10GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957475-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Merz Pharma GmbH & Co.KGaA (DE) 2008-08-20 EP disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO disclosed