SCHEMBL28636205

SCHEMBL28636205

CCCCCON(C(=O)[C@@H](NC(=O)C1CCCCN1C)[C@@H](C)CC)[C@H](C[C@@H](O)c1nc(C(=O)OCC)cs1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
FAP Q12884 4/20 0.36
CTSK P43235 1/20 0.35
ABCB1 P08183 2/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 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
SCHEMBL28636204 1.00 SMN1; SMN2 (0.36) SMN1; SMN2FAPCTSKABCB1KDM4E
SCHEMBL22154601 0.99 FAP (0.36) SMN1; SMN2FAPCTSKABCB1KDM4E
SCHEMBL28628684 0.93 FAP (0.36) FAP
SCHEMBL22154266 0.93 FAP (0.36) FAP
SCHEMBL28628682 0.93 FAP (0.36) FAP
SCHEMBL22154614 0.92 SMN1; SMN2 (0.36) SMN1; SMN2FAPCTSKABCB1KDM4E
SCHEMBL28633861 0.92 SMN1; SMN2 (0.36) SMN1; SMN2FAPCTSKABCB1KDM4E
SCHEMBL22154590 0.92 FAP (0.37) FAP
SCHEMBL28634362 0.92 FAP (0.37) FAP
SCHEMBL28634363 0.92 FAP (0.37) 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