SCHEMBL21781967

SCHEMBL21781967

CNC(=O)[C@@H](NC(=O)CCCN1CCC(C(=O)OC)CC1C(F)(F)F)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL21781965 0.90 EPHX2 (0.32) SMN1; SMN2
SCHEMBL21782049 0.89
SCHEMBL21782043 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21768249 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21768206 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2
SCHEMBL21781963 0.77 HRH1 (0.35)
SCHEMBL22068095 0.77 MAP1LC3B (0.36)
SCHEMBL26544376 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL29939188 0.73 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL23726895 0.69 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed