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SCHEMBL26169655

SCHEMBL26169655

O=C(O)c1ccc(CNC(=O)c2ccc(CNC(=O)c3ccc(CNC(=O)c4ccc(CNC(=O)c5ccc(CNC(=O)C(F)(F)F)cc5)c(S(=O)(=O)O)c4)c(S(=O)(=O)O)c3)c(S(=O)(=O)O)c2)c(S(=O)(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 15/20 0.48
▸ EPHX2 P34913 13/20 0.48
▸ MLYCD O95822 1/20 0.43
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42

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
SCHEMBL26169643 1.00 NR1H4 (0.48) NR1H4EPHX2MLYCDCA1CA2
SCHEMBL26169645 1.00 NR1H4 (0.48) NR1H4EPHX2MLYCDCA1CA2
SCHEMBL26169638 0.99 EPHX2 (0.49) NR1H4EPHX2MLYCDCA1CA2
SCHEMBL24002404 0.90 EPHX2 (0.45) NR1H4EPHX2
SCHEMBL26169661 0.83 EPHX2 (0.48) NR1H4EPHX2CA1CA2
SCHEMBL26169654 0.82 EPHX2 (0.40) NR1H4EPHX2MLYCDCA1CA2
SCHEMBL26169644 0.82 EPHX2 (0.40) NR1H4EPHX2MLYCDCA1CA2
SCHEMBL24002509 0.79 EPHX2 (0.48) NR1H4EPHX2CA1CA2
SCHEMBL1435285 0.75 KMT2A (0.61) NR1H4EPHX2
SCHEMBL24002357 0.73 EPHX2 (0.51) NR1H4EPHX2CA1CA2

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
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — US disclosed
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