SCHEMBL4714129

SCHEMBL4714129

CC(C)Oc1cc2oc(=O)c3c(c2cc1NC(=O)C(C)C)CCCC3

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
ALDH1A1 P00352 10/20 0.60
HSD17B10 Q99714 10/20 0.60
TSHR P16473 10/20 0.60
HPGD P15428 9/20 0.60
POLB P06746 1/20 0.60
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 3/20 0.50
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
LMNA P02545 1/20 0.48
FHIT P49789 2/20 0.47

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
SCHEMBL4758633 0.87 KDM4E (0.60) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4709455 0.86 KDM4E (0.53) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4714112 0.85 ALDH1A1 (0.66) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4712926 0.84 ALDH1A1 (0.54) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4709779 0.84 KDM4E (0.54) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4709158 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL8243409 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4710930 0.82 ALDH1A1 (0.62) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL18932152 0.80 ALDH1A1 (0.69) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL4710590 0.79 ALDH1A1 (0.74) KDM4EALDH1A1HSD17B10TSHRHPGD

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