SCHEMBL21261920

SCHEMBL21261920

COCCOCCN(CO)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.36
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SSTR4 P31391 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL2721744 0.88 BLM (0.43) CA14BLMPMP22HSD17B10L3MBTL1
SCHEMBL30179199 0.81 DGAT1 (0.34) CA14BLMPMP22HSD17B10L3MBTL1
SCHEMBL31618313 0.81 CA14 (0.45) CA14BLMPMP22HSD17B10SSTR4
SCHEMBL31584056 0.81 CA14 (0.45) CA14BLMPMP22HSD17B10SSTR4
SCHEMBL19437619 0.81 CA14 (0.45) CA14BLMPMP22HSD17B10SSTR4
SCHEMBL25032171 0.81 CA14 (0.35) CA14
SCHEMBL22957198 0.80 PDK2 (0.37) CA14BLMPMP22HSD17B10L3MBTL1
SCHEMBL23296185 0.80 CA14 (0.46) CA14BLMPMP22HSD17B10SSTR4
SCHEMBL1512326 0.79 BLM (0.32) CA14BLMPMP22HSD17B10L3MBTL1
SCHEMBL23857521 0.78 CA14 (0.45) CA14SSTR4L3MBTL1HDAC1HDAC2

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-2019154151-A1 INTERMEDIATE COMPOUND AND PREPARATION METHOD THEREFOR, AND SOLID PHASE SYNTHESIS METHOD FOR PREPARING POLYPEPTIDE FROM INTERMEDIATE COMPOUND 四川科伦博泰生物医药股份有限公司 2019-08-15 WO disclosed