SCHEMBL23894100

SCHEMBL23894100

CSC(=O)c1c(C(C)=O)nnn1C(C)C

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.32
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32

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
SCHEMBL20159610 0.84 HPGD (0.36) NPC1HPGDHCAR3HCAR2
SCHEMBL14262396 0.71 NPC1 (0.53) NPC1HPGDHCAR3HCAR2
SCHEMBL24064973 0.69 HPGD (0.36) NPC1HPGDHCAR3HCAR2
SCHEMBL23901255 0.62 NPC1 (0.33) NPC1HPGDHCAR3HCAR2
SCHEMBL23482676 0.62 NPC1 (0.33) NPC1HPGDHCAR3HCAR2
SCHEMBL23130729 0.62 HTT (0.47) NPC1HPGDHCAR3HCAR2
SCHEMBL31144895 0.58 PTGS2 (0.33) NPC1
SCHEMBL23130844 0.58 HCAR3 (0.39) NPC1HPGDHCAR3HCAR2
SCHEMBL25024096 0.57 HPGD (0.32) HPGDHCAR3HCAR2
SCHEMBL1412568 0.57 MAPK1 (0.40) HPGD

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-3888691-A1 CONJUGATION LINKERS, CELL BINDING MOLECULE-DRUG CONJUGATES CONTAINING THE LIKERS, METHODS OF MAKING AND USES SUCH CONJUGATES WITH THE LINKERS Hangzhou Dac Biotech Co., Ltd. (CN) 2021-10-06 EP disclosed