SCHEMBL9320967

SCHEMBL9320967

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

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
LTA4H P09960 2/20 0.46
PTGER3 P43115 1/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
TRPV1 Q8NER1 2/20 0.43
MEN1 O00255 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
MTOR P42345 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 2/20 0.42
TRPM8 Q7Z2W7 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
SCHEMBL9321717 0.94 THRA (0.47) PTGER3THRATHRBTRPM8
SCHEMBL9320996 0.94 THRA (0.47) PTGER3THRATHRBTRPM8
SCHEMBL9320972 0.90 EPHX2 (0.43) EPHX2LTA4HPTGER3THRATHRB
SCHEMBL9320971 0.86 LTA4H (0.47) EPHX2LTA4HPTGER3THRATHRB
SCHEMBL9320263 0.84 THRA (0.43) THRATHRB
SCHEMBL9321693 0.84 THRA (0.43) THRATHRB
SCHEMBL9320976 0.82 LTA4H (0.42) EPHX2LTA4HPTGER3HTR1A
SCHEMBL9320977 0.78 EPHX2 (0.51) EPHX2LTA4HTRPV1MEN1TP53
SCHEMBL6700457 0.78 EPHX2 (0.51) EPHX2LTA4HTRPV1MEN1TP53
SCHEMBL9321739 0.78 EPHX2 (0.51) EPHX2LTA4HTRPV1MEN1TP53

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 4 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
EP-0282127-A2 Beta-aminoethyl-substituted phenyl compounds, and anti-inflammatory or analgesic compositions containing them THE PROCTER & GAMBLE COMPANY (US) 1988-09-14 EP disclosed