SCHEMBL22917100

SCHEMBL22917100

C=C(O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 5/20 0.57
▸ TSHR P16473 1/20 0.57
▸ PARP10 Q53GL7 1/20 0.57
▸ NR1H2 P55055 1/20 0.56
▸ BAX Q07812 1/20 0.56
▸ SRD5A2 P31213 4/20 0.55
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ MAOA P21397 1/20 0.50
▸ ERCC5 P28715 1/20 0.48
▸ FEN1 P39748 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PGR P06401 1/20 0.46
▸ AKR1C3 P42330 1/20 0.45

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
SCHEMBL10678296 0.86 LTA4H (0.57) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL29110245 0.84 PARP10 (0.55) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL19402993 0.82 PARP10 (0.53) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL8043656 0.82 MMP13 (0.53) TSHRPARP10SMN1; SMN2
SCHEMBL26604318 0.82 PARP10 (0.53) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL13567787 0.81 PARP10 (0.48) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL4025301 0.81 MEN1 (0.52) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL28031984 0.80 LTA4H (0.63) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL122719 0.79 LTA4H (0.92) LTA4HTSHRPARP10NR1H2BAX
SCHEMBL22129853 0.79 LTA4H (0.92) LTA4HTSHRPARP10NR1H2BAX

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-2021013733-A1 ARYL-N-ARYL DERIVATIVES FOR TREATING A RNA VIRUS INFECTION ABIVAX (FR) 2021-01-28 — — WO disclosed
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