SCHEMBL24327534

SCHEMBL24327534

O=C1C(Cl)=C(NCc2ccc(C(F)(F)F)cc2)C(=O)c2c(O)ccc(O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.41
▸ HDAC3 O15379 1/20 0.40
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ ASPH Q12797 2/20 0.38
▸ KDM8 Q8N371 2/20 0.38
▸ AKT1 P31749 1/20 0.38
▸ VNN1 O95497 1/20 0.38
▸ EPHX2 P34913 2/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ RIOX2 Q8IUF8 1/20 0.37
▸ DUSP3 P51452 1/20 0.36

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
SCHEMBL24328014 0.85 OXTR (0.42) VNN1PPARAKDM4E
SCHEMBL24327928 0.82 HKDC1 (0.49) CA12CA1CA2KDM4E
SCHEMBL24327528 0.81 AKT1 (0.52) CA12CA1CA2AKT1EPHX2
SCHEMBL24327531 0.79 MAPT (0.47) FFAR1CA12CA1CA2CA7
SCHEMBL24327526 0.71 DHODH (0.54) KDM4EP2RX1
SCHEMBL24327495 0.70 NSD2 (0.49) CA12CA1CA2MTORKDM4E
SCHEMBL24327489 0.70 CDC25A (0.40) MTORKDM4E
SCHEMBL24327493 0.69 CDC25A (0.42) MTORKDM4E
SCHEMBL24327529 0.69 MAPT (0.47) CA1CA2MTORKDM4E
SCHEMBL24327930 0.68 MAPT (0.46) KDM4E

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-2022081984-A1 METHODS AND COMPOUNDS TO TREAT SARS INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-04-21 — — WO disclosed
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