SCHEMBL4713044

SCHEMBL4713044

CC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3

nearest known ligand 0.95

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.95
KDM4E B2RXH2 12/20 0.95
HSD17B10 Q99714 10/20 0.95
HPGD P15428 10/20 0.95
TSHR P16473 8/20 0.95
POLB P06746 1/20 0.95
KMT2A Q03164 5/20 0.65
GLA P06280 4/20 0.65
GAA P10253 4/20 0.65
MAPT P10636 4/20 0.65
MEN1 O00255 4/20 0.65
CASP1 P29466 3/20 0.65
CASP7 P55210 2/20 0.65
LMNA P02545 1/20 0.65
FHIT P49789 1/20 0.58
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL4710374 0.97 ALDH1A1 (1.00) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8246397 0.91 ALDH1A1 (0.79) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709929 0.87 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4712732 0.85 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4759842 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8244817 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL18932152 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4708938 0.84 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709938 0.83 KDM4E (0.71) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710590 0.83 ALDH1A1 (0.74) 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 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