SCHEMBL4711029

SCHEMBL4711029

CCc1cc2c3c(c(=O)oc2cc1O)CCCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 1.00
KDM4E B2RXH2 10/20 1.00
HSD17B10 Q99714 9/20 1.00
HPGD P15428 8/20 1.00
TSHR P16473 7/20 1.00
MAPT P10636 4/20 1.00
GLA P06280 2/20 1.00
GAA P10253 2/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
MAPK1 P28482 2/20 1.00
SMN1; SMN2 Q16637 2/20 1.00
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MCL1 Q07820 1/20 0.56
CYP1A2 P05177 1/20 0.55
ALDH1A2 O94788 2/20 0.54
ALDH2 P05091 2/20 0.54
ALDH1B1 P30837 2/20 0.54
MAOA P21397 1/20 0.52

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
SCHEMBL14262763 0.99 ALDH1A1 (0.97) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL13840361 0.84 ALDH1A1 (0.72) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL31653966 0.81 ALDH1A1 (0.68) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710620 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL30465071 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL14514720 0.78 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL14252888 0.77 ALDH1A1 (0.64) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4710590 0.77 ALDH1A1 (0.74) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4708695 0.76 ALDH1A1 (0.63) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4759826 0.75 ALDH1A1 (0.69) 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 4 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 claimed
WO-2007045876-A1 CHROMENONES AND THEIR USE AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO. KGAA (DE) 2007-04-26 WO claimed
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