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SCHEMBL14730775

SCHEMBL14730775

CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C2(CCCC4=O)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 11/20 0.49
▸ PARP1 P09874 2/20 0.45
▸ HDAC4 P56524 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ DGAT2 Q96PD7 2/20 0.41
▸ BRD3 Q15059 1/20 0.40
▸ ANO1 Q5XXA6 1/20 0.40
▸ RET P07949 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL14730708 0.86 USP30 (0.47) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14731405 0.82 USP30 (0.45) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14730721 0.82 USP30 (0.49) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14730717 0.80 KDM5A (0.40) —
SCHEMBL14731474 0.78 USP30 (0.47) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL16248396 0.77 USP30 (0.48) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14731427 0.76 USP30 (0.46) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14730811 0.76 LMNA (0.45) DGAT2
SCHEMBL14731429 0.74 PARP1 (0.46) USP30PARP1HDAC4HDAC6DGAT2
SCHEMBL14730718 0.73 HSD17B10 (0.51) PARP1KDR

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-2013026163-A1 HEPATITIS C INHIBITOR COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-28 — — WO disclosed