SCHEMBL28366266

SCHEMBL28366266

C=CCCC(=O)NC(CCc1cccc(Cl)c1)C(=O)OCC#N

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.39
CTSV O60911 10/20 0.38
CTSS P25774 10/20 0.38
CTSK P43235 8/20 0.38
CTSB P07858 7/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL21895954 1.00 CTSL (0.39) CTSLCTSVCTSSCTSKCTSB
SCHEMBL20630581 0.90 CTSL (0.46) CTSLCTSVCTSSCTSKCTSB
SCHEMBL20630582 0.90 CTSL (0.46) CTSLCTSVCTSSCTSKCTSB
SCHEMBL21950780 0.89 CNR2 (0.36) CTSSCTSKKMT2AMEN1
SCHEMBL28362291 0.89 CNR2 (0.36) CTSSCTSKKMT2AMEN1
SCHEMBL21895863 0.89 CTSS (0.43) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL21895861 0.89 CTSS (0.43) CTSLCTSSCTSKCTSBSMN1; SMN2
SCHEMBL21896476 0.85 CTSG (0.35) CTSSCTSKALDH1A1KMT2ASMN1; SMN2
SCHEMBL28362197 0.85 CTSG (0.35) CTSSCTSKALDH1A1KMT2ASMN1; SMN2
SCHEMBL21837400 0.83 FOLH1 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD

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-110869544-A Cyclic peptide compound having high membrane permeability and library containing same 中外制药株式会社 2020-03-06 CN disclosed