SCHEMBL25111145

SCHEMBL25111145

NC(Cc1ccc(OCC2=CCCC=C2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
SLC7A5 Q01650 3/20 0.49
PTPN1 P18031 2/20 0.46
CYSLTR1 Q9Y271 1/20 0.44
PTGS1 P23219 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
XIAP P98170 1/20 0.44
GRB2 P62993 1/20 0.43
PPARA Q07869 2/20 0.40
TYR P14679 5/20 0.40
LTA4H P09960 2/20 0.40
TPH1 P17752 1/20 0.40
PCNA P12004 1/20 0.40
LAP3 P28838 1/20 0.40
PPARG P37231 1/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
EGFR P00533 1/20 0.40

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
SCHEMBL15355060 0.79 ITGB3 (0.40) ITGB3ITGA2BSLC7A5PTPN1PPARA
SCHEMBL879605 0.78 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL3504346 0.78 SLC7A5 (0.43) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL18477652 0.77 SLC7A5 (0.46) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL27293069 0.76 SLC7A5 (0.53) SLC7A5PTPN1PTGS1ALPIPKM
SCHEMBL659105 0.76 SLC7A5 (0.69) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL288912 0.76 SLC7A5 (0.69) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL515522 0.76 SLC7A5 (0.69) ITGB3ITGA2BSLC7A5PTGS1ALPI
SCHEMBL1874526 0.75 ITGB3 (0.64) ITGB3ITGA2BSLC7A5PTPN1PTGS1
SCHEMBL1874524 0.75 ITGB3 (0.64) ITGB3ITGA2BSLC7A5PTPN1PTGS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015924-A2 HYBRID OLIGONUCLEOTIDES ENTRADA THERAPEUTICS, INC. (US) 2024-01-18 WO disclosed
WO-2023192510-A1 β-CATENIN ANTIBODIES ENTRADA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
WO-2023034818-A1 COMPOSITIONS AND METHODS FOR SKIPPING EXON 45 IN DUCHENNE MUSCULAR DYSTROPHY ENTRADA THERAPEUTICS, INC. (US) 2023-03-09 WO disclosed