SCHEMBL27930232

SCHEMBL27930232

CC(Cc1ncc(-c2ccc(N(C=O)N3CCCCC3)cc2)s1)C(C)(C)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ERCC5 P28715 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ DGAT1 O75907 1/20 0.31
▸ USP30 Q70CQ3 5/20 0.31
▸ UCHL1 P09936 1/20 0.30
▸ MKNK1 Q9BUB5 1/20 0.30
▸ 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
SCHEMBL27930054 0.92 MKNK1 (0.35) ERCC5FEN1USP30MKNK1WNT1
SCHEMBL27930088 0.91 HDAC6 (0.34) ERCC5FEN1WNT1GSK3BDYRK1A
SCHEMBL27930087 0.88 OPRM1 (0.37) ERCC5FEN1USP30MKNK1
SCHEMBL28805064 0.84 ERCC5 (0.33) ERCC5FEN1DGAT1USP30UCHL1
SCHEMBL27930057 0.75 HDAC6 (0.34) ERCC5FEN1USP30WNT1GSK3B
SCHEMBL27930077 0.73 GSTO1 (0.40) ERCC5FEN1USP30
SCHEMBL27930202 0.73 OPRM1 (0.35) ERCC5FEN1USP30MKNK1
SCHEMBL27930182 0.72 XDH (0.44) ERCC5FEN1
SCHEMBL27266272 0.61 ALDH1A1 (0.40) —
SCHEMBL162335 0.61 RAB9A (0.44) DGAT1

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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