SCHEMBL4712666

SCHEMBL4712666

COC1CCC(Oc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.62
KDM4E B2RXH2 9/20 0.62
HSD17B10 Q99714 7/20 0.59
HPGD P15428 7/20 0.59
TSHR P16473 5/20 0.59
KMT2A Q03164 4/20 0.59
MAPT P10636 4/20 0.59
GLA P06280 4/20 0.59
GAA P10253 4/20 0.59
MEN1 O00255 3/20 0.59
CASP1 P29466 3/20 0.59
CASP7 P55210 2/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
FHIT P49789 1/20 0.53
ALDH1A2 O94788 2/20 0.44
ALDH2 P05091 2/20 0.44
ALDH1B1 P30837 2/20 0.44
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL8246408 1.00 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4712732 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4711017 0.79 KDM4E (0.95) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8246397 0.78 ALDH1A1 (0.79) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709929 0.77 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4711880 0.77 KDM4E (0.95) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4713044 0.77 ALDH1A1 (0.95) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710838 0.75 KDM4E (0.67) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4712030 0.75 KDM4E (0.77) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710374 0.74 ALDH1A1 (1.00) 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 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