SCHEMBL9320992

SCHEMBL9320992

CCCCCCCCC(=O)NCc1ccc(OCCN)c(O)c1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.66
CNR1 P21554 2/20 0.63
CNR2 P34972 2/20 0.63
ALDH1A1 P00352 1/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
HPGD P15428 1/20 0.63
ALOX15 P16050 1/20 0.63
CYP2C19 P33261 1/20 0.63
BLM P54132 1/20 0.63
PMP22 Q01453 1/20 0.63
EPHX2 P34913 1/20 0.62

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
SCHEMBL9320902 0.94 TRPV1 (0.69) TRPV1CNR1CNR2ALDH1A1CYP1A2
SCHEMBL9320937 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6699840 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9323087 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL3688818 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9321762 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9323118 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9321124 0.88 EPHX2 (0.78) TRPV1ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9320316 0.86 EPHX2 (0.76) TRPV1CNR1CNR2ALDH1A1CYP1A2
SCHEMBL10067935 0.84 TRPV1 (0.90) TRPV1CNR1CNR2ALDH1A1CYP1A2

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