SCHEMBL9302406

SCHEMBL9302406

CSC[C@H](NC(=O)C(C)(C)CS)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
PTGS2 P35354 1/20 0.39
THPO P40225 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FOLH1 Q04609 2/20 0.38
ACE P12821 8/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
MME P08473 1/20 0.36
ACE2 Q9BYF1 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
SCHEMBL929062 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929540 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7718893 0.84 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL24359897 0.82 ACE (0.51) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929932 0.81 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929929 0.81 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929930 0.81 KDM4E (0.40) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL11339071 0.79 FOLH1 (0.37) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL10947858 0.79 FOLH1 (0.37) FOLH1ACEGRNSORT1MME
SCHEMBL4954782 0.77 FOLH1 (0.36) FOLH1ACEMMEACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292926-A Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1994-03-08 US disclosed
EP-0326326-B1 CYSTEINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 1993-01-07 EP disclosed
EP-0326326-A1 Cysteine derivatives SANTEN PHARMACEUTICAL CO., LTD. (JP) 1989-08-02 EP disclosed