SCHEMBL9320928

SCHEMBL9320928

CCCCCCCCC(=O)NCc1ccc(OCCN)cc1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.66
LMNA P02545 1/20 0.62
CNR1 P21554 2/20 0.61
EPHX2 P34913 4/20 0.60
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
CNR2 P34972 2/20 0.55
TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL9321143 0.93 CNR1 (0.73) STSCNR1EPHX2CNR2TRPV1
SCHEMBL4134472 0.85 STS (0.67) STSLMNACNR1EPHX2CNR2
SCHEMBL23568294 0.84 LMNA (0.56) LMNA
SCHEMBL3809498 0.83 EPHX2 (0.84) STSCNR1EPHX2CNR2TRPV1
SCHEMBL7329576 0.82 STS (0.60) STSLMNACNR1EPHX2CNR2
SCHEMBL12215285 0.82 CNR1 (0.85) STSCNR1EPHX2CNR2
SCHEMBL9320992 0.82 TRPV1 (0.66) CNR1EPHX2CNR2TRPV1
SCHEMBL24976638 0.82 CA1 (0.55) LMNA
SCHEMBL9323087 0.81 EPHX2 (0.78) EPHX2TRPV1
SCHEMBL9321762 0.81 EPHX2 (0.78) EPHX2TRPV1

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