SCHEMBL28805064

SCHEMBL28805064

CC(C)(CCc1ncc(-c2ccc(N(C=O)N3CCCCC3)cc2)s1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ USP30 Q70CQ3 5/20 0.31
▸ DGAT1 O75907 2/20 0.31
▸ UCHL1 P09936 1/20 0.31
▸ LTB4R Q15722 2/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ WNT1 P04628 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ DYRK1A Q13627 1/20 0.30

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
SCHEMBL27930057 0.91 HDAC6 (0.34) ERCC5FEN1USP30WNT1GSK3B
SCHEMBL27930202 0.88 OPRM1 (0.35) ERCC5FEN1USP30MKNK1
SCHEMBL27930232 0.84 ERCC5 (0.33) ERCC5FEN1USP30DGAT1UCHL1
SCHEMBL162335 0.77 RAB9A (0.44) DGAT1
SCHEMBL27930054 0.76 MKNK1 (0.35) ERCC5FEN1USP30MKNK1WNT1
SCHEMBL27930088 0.75 HDAC6 (0.34) ERCC5FEN1WNT1GSK3BDYRK1A
SCHEMBL163373 0.73 MEN1 (0.50) —
SCHEMBL27930087 0.73 OPRM1 (0.37) ERCC5FEN1USP30MKNK1
SCHEMBL27912034 0.72 GSTO1 (0.40) ERCC5FEN1USP30LTB4R
SCHEMBL163650 0.71 XDH (0.45) ERCC5FEN1LTB4R

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
CN-103228633-A Heterocyclic compounds as DGAT1 inhibitors PIRAMAL LIFE SCIENCES LTD 2013-07-31 — — CN disclosed
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