SCHEMBL698111

SCHEMBL698111

O=C(CCNC(=O)c1ccc(C2CC2)cc1)c1ccc(O[C@H]2CC[C@@H](C(=O)O)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.45
HRH3 Q9Y5N1 4/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
LMNA P02545 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
EPHX2 P34913 1/20 0.40
HSD17B10 Q99714 1/20 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
SCHEMBL663633 0.92 DGAT1 (0.48) DGAT1HRH3LMNAALDH1A1SMN1; SMN2
SCHEMBL10185794 0.92 DGAT1 (0.48) DGAT1HRH3LMNAALDH1A1SMN1; SMN2
SCHEMBL663632 0.92 DGAT1 (0.48) DGAT1HRH3LMNAALDH1A1SMN1; SMN2
SCHEMBL10184403 0.85 DGAT1 (0.54) DGAT1HRH3LMNAOPRM1OPRD1
SCHEMBL10184962 0.84 DGAT1 (0.46) DGAT1HRH3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL10186408 0.84 ALDH1A1 (0.50) DGAT1HRH3LMNAOPRM1OPRD1
SCHEMBL10185436 0.82 DGAT1 (0.46) DGAT1HRH3ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL16527718 0.82 DGAT1 (0.43) DGAT1FAAHEPHX2
SCHEMBL16527717 0.82 DGAT1 (0.43) DGAT1FAAHEPHX2
SCHEMBL17694431 0.82 DGAT1 (0.43) DGAT1FAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2423182-A1 DIACYLETHYLENEDIAMINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-29 EP disclosed