SCHEMBL4709598

SCHEMBL4709598

CC(C)Oc1ccc2c3c(c(=O)oc2c1NC(=O)CCl)CCCC3

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 4/20 0.53
▸ TSHR P16473 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ FHIT P49789 7/20 0.51
▸ ALDH1A1 P00352 5/20 0.49
▸ HPGD P15428 4/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ MAPT P10636 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ MAOA P21397 2/20 0.48
▸ MAOB P27338 2/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MIF P14174 1/20 0.47

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
SCHEMBL4711734 0.82 HSD17B10 (0.55) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4758483 0.82 HSD17B10 (0.51) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4759771 0.78 HSD17B10 (0.51) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4758633 0.78 KDM4E (0.60) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4712245 0.77 KDM4E (0.44) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4711135 0.76 HSD17B10 (0.58) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4712785 0.74 HSD17B10 (0.59) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL8243917 0.73 HSD17B10 (0.55) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4712205 0.72 HSD17B10 (0.54) HSD17B10TSHRMAPK1FHITALDH1A1
SCHEMBL4710265 0.71 ALDH1A1 (0.44) HSD17B10TSHRMAPK1FHITALDH1A1

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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