SCHEMBL13117657

SCHEMBL13117657

O=C(O)C[C@H]1CC[C@H](c2ccc(C(=O)NCCNC(=O)C3Cc4ccc(Cl)cc4S3)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 20/20 0.45
▸ SOAT1 P35610 1/20 0.41

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
SCHEMBL13117656 0.93 DGAT1 (0.45) DGAT1SOAT1
SCHEMBL661514 0.81 DGAT1 (0.59) DGAT1
SCHEMBL13117866 0.76 DGAT1 (0.40) DGAT1
SCHEMBL10185472 0.75 HPGD (0.51) DGAT1
SCHEMBL10185715 0.75 DGAT1 (0.49) DGAT1SOAT1
SCHEMBL10184517 0.75 DGAT1 (0.49) DGAT1SOAT1
SCHEMBL10186181 0.73 DGAT1 (0.47) DGAT1
SCHEMBL16527560 0.71 IDO1 (0.60) DGAT1
SCHEMBL16542660 0.71 IDO1 (0.60) DGAT1
SCHEMBL13117661 0.71 DGAT1 (0.37) DGAT1SOAT1

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
WO-2010122968-A1 DIACYLETHYLENEDIAMINE COMPOUND アステラス製薬株式会社 (JP) 2010-10-28 — — WO disclosed
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