SCHEMBL8162467

SCHEMBL8162467

CCN(Cc1ccccc1OCc1ccccc1)c1ccc(C(=O)O)cn1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.55
HCAR3 P49019 2/20 0.50
PTGER1 P34995 1/20 0.50
PTGER4 P35408 1/20 0.50
PTGER3 P43115 1/20 0.50
PTGER2 P43116 1/20 0.50
RXRB P28702 4/20 0.46
RXRG P48443 3/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
HPGD P15428 2/20 0.43
GCK P35557 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAP4K4 O95819 1/20 0.42
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL27406198 0.90 RXRA (0.49) RXRAHCAR3PTGER1PTGER4PTGER3
SCHEMBL8163058 0.89 RXRA (0.53) RXRAPTGER1MRGPRX4
SCHEMBL1907786 0.89 RXRA (0.53) RXRAHCAR3PTGER1GCKALDH1A1
SCHEMBL8166970 0.87 GCK (0.59) RXRAHCAR3PTGER1PTGER4PTGER3
SCHEMBL6260236 0.85 HCAR3 (0.51) RXRAHCAR3
SCHEMBL8162472 0.85 L3MBTL1 (0.42) RXRAPTGER1PTGER4PTGER3PTGER2
SCHEMBL6261420 0.84 HCAR3 (0.54) RXRAHCAR3RXRBRXRG
SCHEMBL8806684 0.84 PTGER1 (0.57) RXRAPTGER1PTGER4PTGER3PTGER2
SCHEMBL11566168 0.83 HCAR3 (0.62) RXRAHCAR3RXRBRXRGALDH1A1
SCHEMBL8703967 0.83 CCR5 (0.48) RXRAHCAR3PTGER1RXRB

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-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP claimed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN claimed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO claimed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed