SCHEMBL5812715

SCHEMBL5812715

CCCOC(=O)CCCNC(C)=O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.50
▸ EPHX2 P34913 7/20 0.49
▸ PAOX Q6QHF9 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ TOP2A P11388 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ACHE P22303 3/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ DNM1 Q05193 1/20 0.42

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
SCHEMBL5813089 0.89 ALDH1A1 (0.44) DGKAEPHX2PAOXKDM4EMAPK1
SCHEMBL11679364 0.88 DGKA (0.59) DGKAEPHX2ACHEDNM1
SCHEMBL11675472 0.88 DGKA (0.59) DGKAEPHX2ACHEDNM1
SCHEMBL50331 0.85 CYP1A2 (0.53) EPHX2PAOXKDM4EMAPK1HIF1A
SCHEMBL7897224 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A
SCHEMBL7890311 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A
SCHEMBL7898248 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A
SCHEMBL7890333 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A
SCHEMBL7901974 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A
SCHEMBL7900227 0.83 DGKA (0.62) DGKAEPHX2KDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO claimed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US claimed
US-7270928-B2 Isocyanate composition, microcapsule and production method thereof, and recording material FUJIFILM CORPORATION (JP) 2007-09-18 — — US disclosed
US-7270928-B2 Isocyanate composition, microcapsule and production method thereof, and recording material FUJIFILM CORPORATION (JP) 2007-09-18 — — US disclosed
WO-2006119283-A2 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J (US) 2006-11-09 — — WO disclosed
US-20060251597-A1 ANTI-ODOR COMPOSITIONS AND THERAPEUTIC USE YU RUEY J 2006-11-09 — — US disclosed
Send feedback