SCHEMBL4712926

SCHEMBL4712926

CC(C)Oc1cc2oc(=O)c3c(c2cc1NC(=O)c1ccccc1)CCCC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.54
KDM4E B2RXH2 10/20 0.54
HSD17B10 Q99714 8/20 0.54
HPGD P15428 7/20 0.54
TSHR P16473 6/20 0.54
POLB P06746 2/20 0.54
BRPF1 P55201 1/20 0.53
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 4/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL4709455 0.87 KDM4E (0.53) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4714129 0.84 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4758633 0.82 KDM4E (0.60) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709779 0.82 KDM4E (0.54) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4714112 0.81 ALDH1A1 (0.66) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709158 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710930 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8243409 0.78 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL18932152 0.76 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8244054 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10HPGDTSHR

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