SCHEMBL28670451

SCHEMBL28670451

N[C@@H](Cc1ccc(NCCCCBr)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.51
PTGS1 P23219 3/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
PTPRC P08575 1/20 0.49
TPH1 P17752 4/20 0.48
GRB2 P62993 1/20 0.48
PTPN1 P18031 2/20 0.45
ALOX15 P16050 3/20 0.44
HIF1A Q16665 3/20 0.44
KDM4E B2RXH2 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
USP2 O75604 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
HTR2A P28223 1/20 0.44
PTGS2 P35354 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
SCHEMBL28670453 1.00 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5025091 0.90 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2731002 0.90 SLC7A5 (0.56) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19234905 0.86 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL19234904 0.86 SLC7A5 (0.51) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL28673374 0.84 HIF1A (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5024993 0.84 HIF1A (0.54) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12674441 0.82 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL1070680 0.82 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL5025015 0.82 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP

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-113727725-A Genetically encoded phage-displayed cyclic peptide libraries and methods of making the same 得克萨斯A&M大学系统 2021-11-30 CN disclosed