SCHEMBL8028249

SCHEMBL8028249

CN[C@H](C(=O)O)[C@H](O)C(C)CSC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL6207226 1.00 ALDH1A1 (0.34) ALDH1A1TP53RNPEPL3MBTL1
SCHEMBL8028253 1.00 ALDH1A1 (0.34) ALDH1A1TP53RNPEPL3MBTL1
SCHEMBL10521929 1.00 ALDH1A1 (0.34) ALDH1A1TP53RNPEPL3MBTL1
SCHEMBL8028244 1.00 ALDH1A1 (0.34) ALDH1A1TP53RNPEPL3MBTL1
SCHEMBL10521900 0.84 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL10521255 0.81 ALDH1A1 (0.36) ALDH1A1TP53L3MBTL1
SCHEMBL6207891 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL2232837 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL8028251 0.80 ALDH1A1 (0.48) ALDH1A1L3MBTL1
SCHEMBL17909976 0.78 ALDH1A1 (0.35) ALDH1A1TP53L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979244-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2000-02-16 EP disclosed
WO-1998049193-A1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1998-11-05 WO disclosed