SCHEMBL21625979

SCHEMBL21625979

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

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 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
SCHEMBL24760683 1.00 EPHX2 (0.30) EPHX2
SCHEMBL19683170 0.80
SCHEMBL6361462 0.76 SLC1A3 (0.33)
Dimethylamine SCHEMBL28317955 0.76 TDP1 (0.35)
SCHEMBL1709939 0.75
Methylamine SCHEMBL8735479 0.74 SLC1A3 (0.32)
SCHEMBL7196134 0.74 CA1 (0.34)
SCHEMBL791557 0.73
SCHEMBL4536938 0.73
SCHEMBL15129927 0.73

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
EP-2872157-B1 CONJUGATES OF CELL BINDING MOLECULES WITH CYTOTOXIC AGENTS HANGZHOU DAC BIOTECH CO LTD (CN) 2020-01-22 EP disclosed