SCHEMBL21095635

SCHEMBL21095635

COCCOCCOCCOc1ccc(COc2ccc(C[C@H](N)C(=O)O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
LTA4H P09960 3/20 0.49
PPARA Q07869 3/20 0.49
SLC7A5 Q01650 2/20 0.49
ACACB O00763 1/20 0.48
APP P05067 2/20 0.48
LNPEP Q9UIQ6 2/20 0.47
PTPN1 P18031 1/20 0.46
LAP3 P28838 1/20 0.45
PPARG P37231 2/20 0.45
FFAR1 O14842 1/20 0.45
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1712530 0.95 ITGB3 (0.63) ITGB3ITGA2BPPARASLC7A5ACACB
SCHEMBL1712972 0.95 ITGB3 (0.63) ITGB3ITGA2BPPARASLC7A5ACACB
SCHEMBL18244721 0.95 ITGB3 (0.63) ITGB3ITGA2BPPARASLC7A5ACACB
SCHEMBL16163350 0.91 ITGB3 (0.68) ITGB3ITGA2BPPARASLC7A5ACACB
SCHEMBL29641581 0.84 FFAR1 (0.62) ITGB3ITGA2BLTA4HPPARASLC7A5
SCHEMBL21556940 0.84 ITGB3 (0.70) ITGB3ITGA2BPPARASLC7A5ACACB
SCHEMBL27654977 0.84 ITGB3 (0.77) ITGB3ITGA2BPPARASLC7A5PTPN1
SCHEMBL27268099 0.83 ACACB (0.54) ITGB3ITGA2BLTA4HPPARAACACB
SCHEMBL21095469 0.83 ITGB3 (0.43) ITGB3ITGA2BLTA4HPPARAACACB
SCHEMBL31329374 0.82 ITGB3 (0.60) ITGB3ITGA2BPPARASLC7A5ACACB

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
WO-2019115609-A1 SACCHARIDE FUNCTIONALISED CARBABORANE CONJUGATES OF HUMAN PEPTIDE Y UNIVERSITÄT LEIPZIG (DE) 2019-06-20 WO disclosed