SCHEMBL4708926

SCHEMBL4708926

CC(C)Oc1c(Cl)cc2c3c(c(=O)oc2c1NC(=O)c1ccccc1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
ALDH1A1 P00352 9/20 0.44
HPGD P15428 8/20 0.44
HSD17B10 Q99714 7/20 0.44
TSHR P16473 6/20 0.44
POLB P06746 1/20 0.44
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
PKM P14618 1/20 0.41
GLA P06280 3/20 0.40
GAA P10253 3/20 0.40
CYP1A2 P05177 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL4708647 0.86 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4710265 0.83 ALDH1A1 (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4710695 0.79 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4712929 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4712720 0.74 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4712926 0.74 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4710577 0.73 ALDH1A1 (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4758483 0.70 HSD17B10 (0.51) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4709598 0.67 HSD17B10 (0.53) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL4712245 0.66 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10TSHR

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