SCHEMBL6249653

SCHEMBL6249653

CCCCCCCCCCCCCCCCOC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)OCCCCCCCCCCCCCCCC

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 14/20 0.59
PTGS1 P23219 1/20 0.52
GSTK1 Q9Y2Q3 1/20 0.52
GLO1 Q04760 1/20 0.38
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
LPAR3 Q9UBY5 2/20 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
SCHEMBL10803638 0.93 PTGS1 (0.63) NOD1PTGS1GSTK1GLO1
SCHEMBL8774782 0.93 PTGS1 (0.63) NOD1PTGS1GSTK1GLO1
SCHEMBL9817304 0.93 PTGS1 (0.63) NOD1PTGS1GSTK1GLO1
SCHEMBL10801547 0.93 PTGS1 (0.63) NOD1PTGS1GSTK1GLO1
SCHEMBL2048447 0.92 PTGS1 (0.64) NOD1PTGS1GSTK1GLO1
SCHEMBL6658844 0.91 PTGS1 (0.56) NOD1PTGS1GSTK1GLO1
SCHEMBL5066368 0.85 PTGS1 (0.53) NOD1PTGS1GSTK1GLO1
SCHEMBL16501104 0.84 PTGS1 (0.58) NOD1PTGS1GSTK1GLO1
SCHEMBL2137598 0.84 PTGS1 (0.58) NOD1PTGS1GSTK1GLO1
SCHEMBL1356324 0.84 PTGS1 (0.51) NOD1PTGS1GSTK1GLO1LPAR3

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
WO-2005048972-A1 SKIN WHITENING COSMETIC COMPOSITION AMOREPACIFIC CORPORATION (KR) 2005-06-02 WO claimed
WO-2005048972-A1 SKIN WHITENING COSMETIC COMPOSITION AMOREPACIFIC CORPORATION (KR) 2005-06-02 WO disclosed