SCHEMBL4712205

SCHEMBL4712205

CC(C)Oc1ccc2c3c(c(=O)oc2c1[N+](=O)[O-])CCCC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 10/20 0.54
▸ TSHR P16473 8/20 0.54
▸ MAPK1 P28482 3/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ ALDH1A1 P00352 14/20 0.51
▸ HPGD P15428 11/20 0.51
▸ KDM4E B2RXH2 12/20 0.50
▸ GBA1 P04062 1/20 0.50
▸ HTT P42858 3/20 0.48
▸ LMNA P02545 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ ATM Q13315 1/20 0.48
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MIF P14174 1/20 0.47
▸ MAOB P27338 2/20 0.46

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
SCHEMBL4711135 0.82 HSD17B10 (0.58) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL4711734 0.79 HSD17B10 (0.55) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL8243917 0.79 HSD17B10 (0.55) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL4710577 0.79 ALDH1A1 (0.53) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL4712785 0.75 HSD17B10 (0.59) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL4759771 0.75 HSD17B10 (0.51) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL9165831 0.75 PDK1 (0.37) MAPK1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL4711791 0.75 KDM4E (0.63) HSD17B10TSHRMAPK1SMN1; SMN2MAPT
SCHEMBL4390839 0.72 ALDH1A1 (0.78) HSD17B10TSHRMAPK1SMN1; SMN2ALDH1A1
SCHEMBL4709405 0.72 ALDH1A1 (0.67) HSD17B10TSHRMAPK1SMN1; SMN2MAPT

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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