SCHEMBL4709482

SCHEMBL4709482

CSc1nc2cc3c4c(c(=O)oc3cc2o1)CCCC4

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.52
ALDH1A2 O94788 2/20 0.52
ALDH2 P05091 2/20 0.52
ALDH1B1 P30837 2/20 0.52
KDM4E B2RXH2 12/20 0.51
HSD17B10 Q99714 11/20 0.51
HPGD P15428 9/20 0.51
TSHR P16473 8/20 0.51
ALDH1A3 P47895 1/20 0.49
RAB9A P51151 1/20 0.49
MAPT P10636 4/20 0.47
GLA P06280 3/20 0.47
GAA P10253 3/20 0.47
CASP1 P29466 3/20 0.47
CASP7 P55210 3/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
CYP1A2 P05177 1/20 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
SCHEMBL4708997 0.86 ALDH1A1 (0.49) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4710884 0.82 ALDH1A1 (0.59) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4790015 0.80 ALDH1A1 (0.53) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL8243431 0.79 ALDH1A1 (0.56) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4713181 0.79 ELANE (0.53) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL8244489 0.76 ALDH1A1 (0.55) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4709072 0.74 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4708821 0.74 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL8244155 0.74 ALDH1A1 (0.47) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E
SCHEMBL4709082 0.73 PRKDC (0.48) ALDH1A1ALDH1A2ALDH2ALDH1B1KDM4E

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