SCHEMBL4712929

SCHEMBL4712929

CC(C)Oc1c(Cl)cc2c3c(c(=O)oc2c1N)CCCC3

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.56
KDM4E B2RXH2 13/20 0.56
HPGD P15428 10/20 0.56
HSD17B10 Q99714 9/20 0.56
TSHR P16473 7/20 0.56
POLB P06746 2/20 0.56
GLA P06280 5/20 0.47
GAA P10253 5/20 0.47
MAPT P10636 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ATM Q13315 1/20 0.46
CASP1 P29466 3/20 0.42
CASP7 P55210 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAOB P27338 1/20 0.41

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
SCHEMBL8242946 0.85 KDM4E (0.42) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4710577 0.84 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4710695 0.82 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4708647 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4712720 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4709648 0.78 KDM4E (0.68) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4708926 0.76 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4710265 0.76 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4711135 0.75 HSD17B10 (0.58) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL4713044 0.74 ALDH1A1 (0.95) 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