SCHEMBL2048424

SCHEMBL2048424

CC(C)(C)OC(=O)C1(C)CC(=O)CN1C(=O)OI

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BUB1 O43683 1/20 0.33
DDB1 Q16531 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL28257989 0.84 BUB1 (0.33) BUB1DDB1CRBN
SCHEMBL27219481 0.81 BUB1 (0.36) BUB1DDB1CRBN
SCHEMBL26915679 0.81 BUB1 (0.36) BUB1DDB1CRBN
SCHEMBL17937395 0.81 BUB1 (0.36) BUB1DDB1CRBN
SCHEMBL25301908 0.78 BUB1 (0.38) BUB1DDB1CRBN
SCHEMBL350967 0.78 BUB1 (0.38) BUB1DDB1CRBN
SCHEMBL31456782 0.78 BUB1 (0.38) BUB1DDB1CRBN
SCHEMBL4792482 0.75 BUB1 (0.34) BUB1DDB1CRBN
SCHEMBL4745464 0.74 GRIN2B (0.34)
SCHEMBL21244820 0.72 BUB1 (0.40) BUB1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed