SCHEMBL4710374

SCHEMBL4710374

CC(C)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 1.00
KDM4E B2RXH2 9/20 1.00
HSD17B10 Q99714 7/20 1.00
HPGD P15428 6/20 1.00
TSHR P16473 4/20 1.00
POLB P06746 1/20 1.00
KMT2A Q03164 4/20 0.69
GLA P06280 3/20 0.69
GAA P10253 3/20 0.69
MAPT P10636 3/20 0.69
MEN1 O00255 3/20 0.69
CASP1 P29466 2/20 0.69
LMNA P02545 1/20 0.69
CASP7 P55210 1/20 0.69
FHIT P49789 1/20 0.55
ALDH1A2 O94788 1/20 0.49
ALDH2 P05091 1/20 0.49
ALDH1B1 P30837 1/20 0.49
ALDH1A3 P47895 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL4713044 0.97 ALDH1A1 (0.95) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8246397 0.88 ALDH1A1 (0.79) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709929 0.84 ALDH1A1 (0.73) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709938 0.83 KDM4E (0.71) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4712732 0.82 ALDH1A1 (0.70) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4709145 0.82 KDM4E (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL8244817 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL18932152 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4708938 0.82 ALDH1A1 (0.69) ALDH1A1KDM4EHSD17B10HPGDTSHR
SCHEMBL4759842 0.82 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