SCHEMBL4593147

SCHEMBL4593147

O=C(O)/C=C/c1ccccc1-c1cccc(Cl)c1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.58
PTGER2 P43116 5/20 0.58
PTGER1 P34995 4/20 0.58
NFKB1 P19838 3/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA4 P22748 1/20 0.53
MAPT P10636 6/20 0.45
PTGER4 P35408 3/20 0.45
TBXA2R P21731 2/20 0.45
PTGFR P43088 2/20 0.45
PTGIR P43119 2/20 0.45
PTGDR Q13258 2/20 0.45
LMNA P02545 1/20 0.45
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
MEN1 O00255 3/20 0.44

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
SCHEMBL9094389 0.84 NFKB1 (0.66) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL9297750 0.83 NFKB1 (0.67) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL211297 0.79 HDAC1 (0.65) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL12852987 0.79 HDAC1 (0.65) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL29393232 0.79 HDAC1 (0.65) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL322878 0.79 HDAC1 (0.65) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL8641080 0.78 NFKB1 (0.72) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL11462614 0.78 HDAC1 (0.62) PTGER3PTGER2PTGER1NFKB1CA1
Hydrochloric Acid SCHEMBL11754749 0.78 HDAC1 (0.62) PTGER3PTGER2PTGER1NFKB1CA1
SCHEMBL1124437 0.76 PTGS2 (0.55) PTGER3PTGER2PTGER1NFKB1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896399-A1 BIPHENYL AND NAPHTHYL-PHENYL HYDROXAMIC ACID DERIVATIVES SIGMA-TAU Industrie Farmaceutiche Riunite S.p.A. (IT) 2008-03-12 EP disclosed
WO-2007000383-A1 BIPHENYL AND NAPHTHYL-PHENYL HYDROXAMIC ACID DERIVATIVES SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-01-04 WO disclosed