SCHEMBL4712678

SCHEMBL4712678

O=c1oc2cc(O)c(Cl)cc2c2c1CC(C(F)(F)F)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.44
▸ PPARG P37231 1/20 0.44
▸ NCOA2 Q15596 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ ALDH1A1 P00352 10/20 0.41
▸ KDM4E B2RXH2 8/20 0.41
▸ GLA P06280 6/20 0.41
▸ GAA P10253 6/20 0.41
▸ HPGD P15428 6/20 0.41
▸ HSD17B10 Q99714 5/20 0.41
▸ CASP1 P29466 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ CASP7 P55210 3/20 0.41
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40

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
SCHEMBL4709192 0.80 KDM4E (0.65) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL4708981 0.77 ALDH1A1 (0.54) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL30465071 0.76 ALDH1A1 (0.65) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL4708695 0.76 ALDH1A1 (0.63) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL4710620 0.76 ALDH1A1 (0.65) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL8243919 0.69 KDM4E (0.39) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL9211053 0.67 MCL1 (0.63) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL10744925 0.65 HSD17B3 (0.62) LMNAPPARGNCOA2NPSR1RXFP1
SCHEMBL13840361 0.64 ALDH1A1 (0.72) LMNAALDH1A1KDM4EGLAGAA
SCHEMBL31653966 0.64 ALDH1A1 (0.68) LMNAALDH1A1KDM4EGLAGAA

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
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