SCHEMBL9320263

SCHEMBL9320263

CCCCCCCCCN(Cc1ccc(OCCN)c(OC)c1)C(O)=S

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR2 O95136 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
LPAR2 Q9HBW0 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
SCHEMBL9321693 1.00 THRA (0.43) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL9320972 0.94 EPHX2 (0.43) THRATHRB
SCHEMBL9321717 0.89 THRA (0.47) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL9320996 0.89 THRA (0.47) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL9320967 0.84 EPHX2 (0.47) THRATHRB
SCHEMBL11099994 0.82 CYP1A2 (0.51)
SCHEMBL9320976 0.81 LTA4H (0.42) S1PR2S1PR1S1PR3LPAR2
SCHEMBL9323114 0.77 QPCT (0.49)
SCHEMBL6472270 0.76 MEN1 (0.56)
SCHEMBL9320317 0.76

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