SCHEMBL21781965

SCHEMBL21781965

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

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HRH1 P35367 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
SCHEMBL21781967 0.90 ALDH1A1 (0.30) SMN1; SMN2
SCHEMBL21782049 0.85
SCHEMBL21768249 0.69 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL21782043 0.69 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL21768206 0.69 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL17802912 0.64 LMNA (0.38) SMN1; SMN2
SCHEMBL21781802 0.64 OPRD1 (0.30)
SCHEMBL21895892 0.63 MMP1 (0.40) EPHX2
SCHEMBL27097610 0.63 MMP1 (0.38) EPHX2
SCHEMBL26503549 0.62 CYP1A2 (0.42) EPHX2

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