SCHEMBL7057376

SCHEMBL7057376

C#COC(=O)CCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.45
EGLN1 Q9GZT9 4/20 0.45
ALKBH5 Q6P6C2 1/20 0.45
SUCNR1 Q9BXA5 1/20 0.45
KDM5C P41229 3/20 0.43
PHF8 Q9UPP1 3/20 0.43
KDM2A Q9Y2K7 3/20 0.43
KDM6B O15054 2/20 0.43
TSHR P16473 4/20 0.39
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NFKB1 P19838 2/20 0.37
SLC15A2 Q16348 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
OR51E2 Q9H255 1/20 0.36

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
SCHEMBL14032355 0.89 TSHR (0.38) TSHR
SCHEMBL5157552 0.84 HSD17B10 (0.54) LMNATSHRCYP2D6MAPTCYP1A2
SCHEMBL3859891 0.84 HSD17B10 (0.54) LMNATSHRCYP2D6MAPTCYP1A2
SCHEMBL1712975 0.79 TSHR (0.38) LMNATSHRCYP2D6MAPTCYP1A2
SCHEMBL7056732 0.78 TSHR (0.62) LMNATSHRMAPTHSD17B10KDM4E
SCHEMBL3629946 0.78 ALDH1A1 (0.48) LMNATSHRMAPTSLC15A2
SCHEMBL2261658 0.77 MAPT (0.39) LMNATSHRCYP2D6MAPTCYP1A2
SCHEMBL9419234 0.77
SCHEMBL1712782 0.77 MAPT (0.39) LMNATSHRCYP2D6MAPTCYP1A2
SCHEMBL12840791 0.76

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1908466-B1 SUBSTITUTED PROPANAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME DAIICHI SANKYO CO LTD (JP) 2014-02-19 EP claimed
EP-1880720-B1 SUBSTITUTED ACRYLAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAIICHI SANKYO CO LTD (JP) 2013-02-13 EP claimed
EP-1202959-B1 AMINOBENZOPHENONES AS INHIBITORS OF IL-1-BETA AND TNF-ALPHA LEO PHARMA AS (DK) 2004-09-29 EP claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
WO-2014065413-A1 TRIAZOLE-ISOXAZOLE COMPOUND AND MEDICAL USE THEREOF 日本たばこ産業株式会社 (JP) 2014-05-01 WO disclosed