SCHEMBL28632005

SCHEMBL28632005

CCCCCCON(C(=O)C(N=[N+]=[N-])C(C)CC)C(CC(O[Si](C)(C)C(C)(C)C)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.34
PLA2G4A P47712 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
SCHEMBL28632004 1.00 ABCB1 (0.34) ABCB1PLA2G4A
SCHEMBL28634045 0.91 ABCB1 (0.33) ABCB1
SCHEMBL22154599 0.91 ABCB1 (0.33) ABCB1
SCHEMBL30360070 0.89 ABCB1 (0.35) ABCB1PLA2G4A
SCHEMBL22154694 0.88 ABCB1 (0.36) ABCB1PLA2G4A
SCHEMBL28646537 0.85 GAA (0.37)
SCHEMBL28631048 0.84 ABCB1 (0.43) ABCB1PLA2G4A
SCHEMBL28631046 0.84 ABCB1 (0.43) ABCB1PLA2G4A
SCHEMBL31232797 0.82
SCHEMBL28627110 0.81 ABCB1 (0.33) ABCB1

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
CN-113454097-A Tubulysins and protein-tubulysin conjugates 里珍纳龙药品有限公司 2021-09-28 CN disclosed