SCHEMBL4708693

SCHEMBL4708693

COc1cc2oc(=O)c3c(c2cc1OCCO)CCCC3

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.64
KDM4E B2RXH2 11/20 0.64
HPGD P15428 9/20 0.64
HSD17B10 Q99714 9/20 0.64
TSHR P16473 6/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
RXFP1 Q9HBX9 1/20 0.55
FHIT P49789 2/20 0.50
GLA P06280 2/20 0.50
GAA P10253 2/20 0.50
MAPK1 P28482 2/20 0.50
CASP1 P29466 2/20 0.50
CASP7 P55210 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
DRD4 P21917 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.46

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
SCHEMBL8806057 0.98 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8807799 0.94 ALDH1A1 (0.62) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8806711 0.92 ALDH1A1 (0.59) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8807035 0.91 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4711136 0.87 ALDH1A1 (0.76) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8809207 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4708976 0.84 KDM4E (0.70) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8809895 0.83 ALDH1A1 (0.58) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL8806039 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4790925 0.82 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 2 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