SCHEMBL28628682

SCHEMBL28628682

CCCCCON(C(=O)C(NC(=O)[C@H]1CCCCN1C)C(C)CC)C(CC(O)c1nc(C(=O)O)cs1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FAP Q12884 4/20 0.36
PTGER4 P35408 2/20 0.31
MMP3 P08254 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
SCHEMBL28628684 1.00 FAP (0.36) FAPPTGER4MMP3
SCHEMBL22154266 1.00 FAP (0.36) FAPPTGER4MMP3
SCHEMBL28634363 0.99 FAP (0.37) FAPPTGER4
SCHEMBL22154590 0.99 FAP (0.37) FAPPTGER4
SCHEMBL28634362 0.99 FAP (0.37) FAPPTGER4
SCHEMBL28636205 0.93 SMN1; SMN2 (0.36) FAP
SCHEMBL28636204 0.93 SMN1; SMN2 (0.36) FAP
SCHEMBL22154697 0.92 FAP (0.35) FAP
SCHEMBL22154601 0.92 FAP (0.36) FAP
SCHEMBL28638036 0.92 FAP (0.35) FAP

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