SCHEMBL4708735

SCHEMBL4708735

CC(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.95
ALDH1A1 P00352 10/20 0.95
HSD17B10 Q99714 9/20 0.95
HPGD P15428 8/20 0.95
TSHR P16473 5/20 0.95
MAPK1 P28482 3/20 0.77
RAB9A P51151 2/20 0.75
NPC1 O15118 1/20 0.75
SMN1; SMN2 Q16637 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
KMT2A Q03164 4/20 0.72
MEN1 O00255 3/20 0.72
MAPT P10636 3/20 0.65
STS P08842 8/20 0.62
GAA P10253 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
GLA P06280 1/20 0.61
POLB P06746 1/20 0.61
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61

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
SCHEMBL10766080 0.85 KDM4E (0.70) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL31307822 0.84 ALDH1A1 (0.78) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL23493981 0.84 ALDH1A1 (0.78) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4711190 0.84 KDM4E (0.73) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4708959 0.82 KMT2A (1.00) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL15974009 0.81 ALDH1A1 (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL21587879 0.80 KMT2A (0.68) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29527962 0.79 KMT2A (0.66) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL4710639 0.78 KMT2A (0.65) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL29386209 0.78 KDM4E (0.71) KDM4EALDH1A1HSD17B10HPGDTSHR

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 4 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 claimed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO claimed
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