SCHEMBL19879931

SCHEMBL19879931

O=C(O)CSCN[C@@H](CS)C(=O)C1CCCCCC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.36
▸ USP2 O75604 1/20 0.35
▸ MITF O75030 1/20 0.34
▸ KLF5 Q13887 1/20 0.34
▸ ACE P12821 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ HIF1A Q16665 1/20 0.31

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
SCHEMBL19879921 0.89 — —
SCHEMBL16451649 0.73 MAPT (0.40) ALDH1A1ACECYP3A4CYP2C19CYP2D6
SCHEMBL25069812 0.68 HDAC8 (0.35) ALDH1A1CYP3A4
SCHEMBL10659188 0.66 LMNA (0.40) ALDH1A1USP2MITFKLF5ACE
SCHEMBL10659184 0.66 LMNA (0.40) ALDH1A1USP2MITFKLF5ACE
SCHEMBL30150927 0.62 PTGS1 (0.43) ALDH1A1
SCHEMBL22434813 0.62 NAAA (0.49) ALDH1A1USP2
SCHEMBL22404326 0.62 NAAA (0.49) ALDH1A1USP2
SCHEMBL16451650 0.61 KDM4E (0.36) ACE
SCHEMBL18430289 0.60 BCHE (0.45) —

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-9896715-B2 Method for analyzing formyl glycine residue JCR PHARMACEUTICALS CO., LTD. (JP) 2018-02-20 — — US disclosed
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