SCHEMBL9320972

SCHEMBL9320972

CCCCCCCC/C=C\CCCCCCCCN(Cc1ccc(OCCN)c(OC)c1)C(O)=S

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
LTA4H P09960 1/20 0.41
PTGER3 P43115 1/20 0.41
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9320263 0.94 THRA (0.43) THRATHRB
SCHEMBL9321693 0.94 THRA (0.43) THRATHRB
SCHEMBL9320967 0.90 EPHX2 (0.47) EPHX2LTA4HPTGER3THRATHRB
SCHEMBL9320976 0.85 LTA4H (0.42) EPHX2LTA4HPTGER3
SCHEMBL9321717 0.84 THRA (0.47) PTGER3THRATHRB
SCHEMBL9320996 0.84 THRA (0.47) PTGER3THRATHRB
SCHEMBL9320971 0.80 LTA4H (0.47) EPHX2LTA4HPTGER3THRATHRB
SCHEMBL9321064 0.79
SCHEMBL10701856 0.79 SIGMAR1 (0.49) EPHX2
SCHEMBL9321888 0.78 EPHX2 (0.44) EPHX2LTA4HPTGER3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282127-B1 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them PROCTER & GAMBLE (US) 1994-02-02 EP disclosed
US-5099030-A Phenols or phenolic ethers THE PROCTER & GAMBLE COMPANY (US) 1992-03-24 US disclosed
US-5045565-A Novel compounds, pharmaceutical compositions, and methods for treating inflammation and pain THE PROCTER & GAMBLE COMPANY (US) 1991-09-03 US disclosed