SCHEMBL9555243

SCHEMBL9555243

CN[C@@H](C)C(=O)N(C(=O)OC(C)(C)C)[C@@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
SYK P43405 1/20 0.42
NTSR1 P30989 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PPARA Q07869 1/20 0.40
ATM Q13315 1/20 0.40

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
SCHEMBL19456479 0.88 POLB (0.47) POLBSYKNTSR1L3MBTL1
SCHEMBL7320388 0.83 POLB (0.43) POLBSYKNTSR1L3MBTL1CTSL
SCHEMBL23491247 0.82 SYK (0.45) POLBSYKNTSR1L3MBTL1
SCHEMBL23491355 0.82 SYK (0.45) POLBSYKNTSR1L3MBTL1
SCHEMBL30307663 0.80 POLB (0.47) POLBSYKL3MBTL1
SCHEMBL30878162 0.80 POLB (0.47) POLBSYKL3MBTL1
SCHEMBL2499502 0.80 POLB (0.47) POLBSYKL3MBTL1
SCHEMBL4679985 0.78 SYK (0.47) POLBSYKL3MBTL1CTSK
SCHEMBL9555345 0.77 CTSK (0.46) CTSLCTSBCTSSCTSK
SCHEMBL16284728 0.75 SYK (0.50) POLBSYKL3MBTL1PPARA

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
US-5236899-A Enhanced sensitivity to antitumor agents MERCK & CO., INC. (US) 1993-08-17 US disclosed
US-4914188-A ANTIBODY INHIBITORS MERCK & CO., INC. (US) 1990-04-03 US disclosed