SCHEMBL8431345

SCHEMBL8431345

NC(=O)C[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)NCC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
GSTK1 Q9Y2Q3 1/20 0.45
GLO1 Q04760 2/20 0.40
ECE1 P42892 3/20 0.35
OPRD1 P41143 6/20 0.34
OPRM1 P35372 5/20 0.34
OPRK1 P41145 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MDM4 O15151 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGAV P06756 1/20 0.33
ITGA5 P08648 1/20 0.33

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
SCHEMBL8135287 1.00 PTGS1 (0.45) PTGS1GSTK1GLO1ECE1OPRD1
SCHEMBL9225749 0.99 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1OPRD1
SCHEMBL4260374 0.97 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1
SCHEMBL8045766 0.97 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1
SCHEMBL901171 0.97 PTGS1 (0.47) PTGS1GSTK1GLO1ECE1OPRD1
SCHEMBL1472487 0.97 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1
SCHEMBL9067746 0.96 PTGS1 (0.44) PTGS1GSTK1GLO1ECE1OPRD1
SCHEMBL1409212 0.96 PTGS1 (0.46) PTGS1GSTK1GLO1ECE1OPRD1
SCHEMBL2169172 0.96 PTGS1 (0.46) PTGS1GSTK1GLO1OPRD1OPRM1
SCHEMBL1442864 0.96 PTGS1 (0.46) PTGS1GSTK1GLO1OPRD1OPRM1

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
CN-114026114-A BNIP3 peptide for treating reperfusion injury 比姆约有限公司 2022-02-08 CN disclosed
CN-101365786-B Plants having improved growth characteristics and methods for making same CROPDESIGN NV 2014-03-05 CN disclosed
EP-0954532-A1 NOVEL HUMAN APOPTOSIS REGULATOR INCYTE PHARMACEUTICALS, INC. (US) 1999-11-10 EP disclosed
WO-1998029447-A1 NOVEL HUMAN APOPTOSIS REGULATOR INCYTE PHARMACEUTICALS, INC. (US) 1998-07-09 WO disclosed