SCHEMBL4708959

SCHEMBL4708959

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
MEN1 O00255 4/20 1.00
KDM4E B2RXH2 12/20 0.65
ALDH1A1 P00352 11/20 0.65
HSD17B10 Q99714 9/20 0.65
HPGD P15428 9/20 0.65
TSHR P16473 6/20 0.65
MAPT P10636 5/20 0.63
MAPK1 P28482 3/20 0.63
GLA P06280 4/20 0.63
GAA P10253 4/20 0.63
POLB P06746 1/20 0.63
STS P08842 6/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59

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
SCHEMBL4708735 0.82 KDM4E (0.95) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL21587879 0.81 KMT2A (0.68) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29527962 0.80 KMT2A (0.66) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29386209 0.79 KDM4E (0.71) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL4710639 0.79 KMT2A (0.65) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL4712308 0.78 MEN1 (0.63) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29527345 0.77 KDM4E (0.65) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL3722363 0.77 STS (0.85) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL10867007 0.76 ALDH1A1 (0.72) KMT2AMEN1KDM4EALDH1A1HSD17B10
SCHEMBL29527922 0.76 KDM4E (0.72) KMT2AMEN1KDM4EALDH1A1HSD17B10

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