SCHEMBL28984590

SCHEMBL28984590

C1=CCC=C1.NC(CCC(=O)NC(CSCc1ccc(Br)cc1)C(=O)NCC(=O)O)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLO1 Q04760 7/20 0.65
PTGS1 P23219 1/20 0.49
GSTK1 Q9Y2Q3 1/20 0.49
ACE P12821 1/20 0.43
FOLH1 Q04609 1/20 0.38
ABCC1 P33527 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL345986 0.94 GLO1 (0.73) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL3280215 0.94 GLO1 (0.73) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL28984553 0.88 GLO1 (0.63) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL5000996 0.85 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11874436 0.85 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11867595 0.84 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11873695 0.84 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11873669 0.84 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11867575 0.84 GLO1 (0.59) GLO1PTGS1GSTK1ACEFOLH1
SCHEMBL11874744 0.81 GLO1 (0.56) GLO1PTGS1GSTK1ACEFOLH1

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
CN-115943307-A MR1 ligands and pharmaceutical compositions for immunomodulation 巴塞尔大学 2023-04-07 CN disclosed