SCHEMBL18924179

SCHEMBL18924179

COC(=O)CCCCC(=O)NCC(=O)NCC(=O)NCC(=O)N(C)c1cc(CO)cc(CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
HDAC8 Q9BY41 1/20 0.32
GAA P10253 1/20 0.32
CDK4 P11802 1/20 0.30
CCND3 P30281 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
SCHEMBL19656342 0.96 RECQL (0.39) RECQLHDAC8GAACDK4CCND3
SCHEMBL17570887 0.87 RECQL (0.44) RECQLHDAC8GAA
SCHEMBL17570906 0.78 RECQL (0.43) RECQLHDAC8GAA
SCHEMBL17570931 0.73 RECQL (0.47) RECQLHDAC8GAA
SCHEMBL18411732 0.72 HDAC8 (0.34) HDAC8
SCHEMBL19656353 0.72 AOC3 (0.32)
SCHEMBL1764760 0.71 APP (0.30)
SCHEMBL19663592 0.71
SCHEMBL13008128 0.70 SIRT2 (0.36) GAA
SCHEMBL17615245 0.69 CTSL (0.46)

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
US-9669102-B2 Cytotoxic benzodiazepine derivatives IMMUNOGEN, INC. (US) 2017-06-06 US disclosed