SCHEMBL25827016

SCHEMBL25827016

C#CCCCCN(C(=O)C(N=[N+]=[N-])[C@@H](C)CC)[C@H](C[C@@H](OCCCO)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.31

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
SCHEMBL30716467 1.00 ABCB1 (0.31) ABCB1
SCHEMBL26970637 0.92
SCHEMBL26970752 0.92
SCHEMBL25826798 0.85 ABCB1 (0.34) ABCB1
SCHEMBL24140963 0.85 ABCB1 (0.34) ABCB1
SCHEMBL25832382 0.84 ABCB1 (0.34) ABCB1
SCHEMBL15865693 0.81 ABCB1 (0.35) ABCB1
SCHEMBL22154709 0.81
SCHEMBL28627175 0.81
SCHEMBL25828774 0.79 ABCB1 (0.34) 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
WO-2023129518-A1 TUBULYSINS AND PROTEIN-TUBULYSIN CONJUGATES REGENERON PHARMACEUTICALS, INC. (US) 2023-07-06 WO disclosed