SCHEMBL31005441

SCHEMBL31005441

CC(C)(CCC(=O)ON1C(=O)CC(S(=O)(=O)O)C1=O)SSc1ccccn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.34
LMNA P02545 1/20 0.32
POLB P06746 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
SCHEMBL30367749 0.85 ALDH1A1 (0.36) ELANELMNAPOLB
SCHEMBL5485914 0.85 ALDH1A1 (0.36) ELANELMNAPOLB
SCHEMBL16047481 0.83 HDAC1 (0.36)
SCHEMBL29427561 0.83 LMNA (0.31) ELANELMNA
SCHEMBL2169209 0.83 LMNA (0.31) ELANELMNA
SCHEMBL1137778 0.83 TDP1 (0.33) LMNAPOLB
SCHEMBL2033142 0.83 ALDH1A1 (0.45) ELANELMNAPOLB
SCHEMBL30952819 0.82 LMNA (0.38) ELANELMNAPOLB
SCHEMBL13658486 0.82 LMNA (0.38) ELANELMNAPOLB
Hydrochloric Acid SCHEMBL30767142 0.81 LMNA (0.37) ELANELMNAPOLB

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-113039191-B Nucleotide analogues 奇异基因组学系统公司 2024-07-16 CN disclosed