SCHEMBL20078588

SCHEMBL20078588

CSCCC(NC(C)=O)C(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ LMNA P02545 1/20 0.38
▸ USP2 O75604 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ DRD1 P21728 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ RNPEP Q9H4A4 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 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
SCHEMBL23143030 0.83 MAPT (0.39) GAAALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL18930558 0.83 CTSS (0.48) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL12401314 0.83 TSHR (0.35) ALDH1A1TSHRSMN1; SMN2KDM4EMAPT
SCHEMBL12018961 0.81 ALDH1A1 (0.43) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL13603010 0.81 ALDH1A1 (0.43) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL12562326 0.81 ALDH1A1 (0.43) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL14347466 0.80 CTSS (0.38) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL23065777 0.80 CTSS (0.38) CTSSCTSKGAAALDH1A1LMNA
SCHEMBL12229210 0.79 KDM4E (0.39) CTSSCTSKGAAALDH1A1TSHR
SCHEMBL109682 0.79 LMNA (0.55) ALDH1A1LMNAUSP2MAPK1SMN1; 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
US-9951001-B2 Hepatoprotectant acetaminophen mutual prodrugs ACORDA THERAPEUTICS, INC. (US) 2018-04-24 — — US disclosed
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