SCHEMBL8397139

SCHEMBL8397139

CC(C)[C@H](NC(=O)OCc1ccccc1)[C@H](O)CC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.64
SYK P43405 1/20 0.53
CTSK P43235 5/20 0.47
KLK5 Q9Y337 2/20 0.47
ELANE P08246 2/20 0.47
PRTN3 P24158 1/20 0.47
ATM Q13315 1/20 0.46
CTSL P07711 3/20 0.46
CTSS P25774 3/20 0.46
CTSB P07858 2/20 0.45
REN P00797 1/20 0.43
CTRB1 P17538 2/20 0.43

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
SCHEMBL25721689 0.90 SYK (0.55) CYP2D6SYKCTSKATMCTSL
SCHEMBL2493028 0.88 ABCB1 (0.54) CTSKELANEPRTN3ATMCTSL
SCHEMBL2391974 0.86 CTSL (0.48) CTSKELANEPRTN3ATMCTSL
SCHEMBL13303244 0.86 CTSL (0.48) CTSKELANEPRTN3ATMCTSL
SCHEMBL3339842 0.85 ATM (0.52) CTSKELANEPRTN3ATMCTSL
SCHEMBL3338883 0.85 ATM (0.52) CTSKELANEPRTN3ATMCTSL
SCHEMBL3274393 0.85 ATM (0.52) CTSKELANEPRTN3ATMCTSL
SCHEMBL8972112 0.84 SYK (0.58) SYKCTSKELANEATMCTSL
SCHEMBL12203687 0.84 SYK (0.58) SYKCTSKELANEATMCTSL
SCHEMBL27658167 0.83 SYK (0.55) SYKCTSKKLK5ELANEATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5939527-A SYNTHETIC OLIGOPEPTIDE WITH BIOLOGICAL ACTIVITY OF DOLASTATIN FROM SEA HARE BASF AKTIENGESELLSCHAFT (DE) 1999-08-17 US disclosed
EP-0915908-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1999-05-19 EP disclosed
US-5741892-A Pentapeptides as antitumor agents BASF AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed
WO-1998004581-A1 DOLASTATIN PENTAPEPTIDE DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS BASF AKTIENGESELLSCHAFT (DE) 1998-02-05 WO disclosed