SCHEMBL25940376

SCHEMBL25940376

COC(=O)/C=C/c1ccc(B2OC(C)(C)C(C)(C)O2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
TTR P02766 2/20 0.49
APP P05067 1/20 0.49
PTPN1 P18031 2/20 0.47
EPHX2 P34913 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TYR P14679 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
JAK2 O60674 1/20 0.45
GAA P10253 1/20 0.45
FDPS P14324 1/20 0.43
IP6K1 Q92551 1/20 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
SCHEMBL25943492 0.86 TTR (0.48) KDM4EALDH1A1TTRAPPPTPN1
SCHEMBL4190691 0.85 EPHX2 (0.56) KDM4EALDH1A1TTRAPPPTPN1
SCHEMBL4190688 0.85 EPHX2 (0.56) KDM4EALDH1A1TTRAPPPTPN1
SCHEMBL20551560 0.80 P4HB (0.63) KDM4EALDH1A1TTRAPPPTPN1
SCHEMBL20551559 0.80 P4HB (0.63) KDM4EALDH1A1TTRAPPPTPN1
SCHEMBL66903 0.79 FDPS (0.53) KDM4EALDH1A1TTRAPPEPHX2
SCHEMBL12215743 0.79 TTR (0.54) TTRAPPCA12CA1CA2
SCHEMBL29976409 0.76 ALDH1A1 (0.38) KDM4EALDH1A1CA1CA2CA9
SCHEMBL12499900 0.76 ALDH1A1 (0.38) KDM4EALDH1A1CA1CA2CA9
SCHEMBL26750856 0.76 TTR (0.51) TTRAPPCA12CA1CA2

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-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 WO disclosed