SCHEMBL6207891

SCHEMBL6207891

CC[C@@H](C)[C@@H](O)[C@H](NC)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.42
MME P08473 2/20 0.39
ACE P12821 2/20 0.39
CPA1 P15085 2/20 0.39
ACE2 Q9BYF1 2/20 0.39
CA2 P00918 4/20 0.39
CA1 P00915 3/20 0.39
FPR2 P25090 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
ENPEP Q07075 2/20 0.37

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
SCHEMBL2232837 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL8028251 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL18560091 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL2034664 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL288609 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203222 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43380 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL43381 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL203221 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1
SCHEMBL2034259 0.85 ALDH1A1 (0.59) ALDH1A1L3MBTL1MMEACECPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP claimed
EP-0979244-B1 NOVEL CYCLOSPORIN DERIVATIVES, PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2005-03-02 EP disclosed
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