SCHEMBL4709072

SCHEMBL4709072

O=c1oc2cc3oc(-c4ccccc4)nc3cc2c2c1CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.47
ALDH1A2 O94788 2/20 0.47
ALDH2 P05091 2/20 0.47
ALDH1B1 P30837 2/20 0.47
ELANE P08246 1/20 0.47
HPGD P15428 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
MAOB P27338 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP1A2 P05177 2/20 0.45
GPR119 Q8TDV5 1/20 0.45
RAB9A P51151 7/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 4/20 0.44

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
SCHEMBL4712015 0.89 ALDH1A1 (0.46) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4708821 0.88 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4856691 0.87 TSHR (0.51) ALDH1A1ALDH1A2ALDH2ALDH1B1ELANE
SCHEMBL8238038 0.85 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4713288 0.83 HSD17B10 (0.50) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4709238 0.82 ALDH1A1 (0.46) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4709144 0.80 ELANE (0.50) ALDH1A1ALDH1A2ALDH2ALDH1B1ELANE
SCHEMBL4711081 0.79 ALDH1A1 (0.48) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4710884 0.78 ALDH1A1 (0.59) ALDH1A1ALDH1A2ALDH2ALDH1B1HPGD
SCHEMBL4713181 0.77 ELANE (0.53) ALDH1A1ALDH1A2ALDH2ALDH1B1ELANE

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