SCHEMBL8167667

SCHEMBL8167667

COC(=O)c1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CCR5 P51681 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.56
▸ USP28 Q96RU2 1/20 0.56
▸ USP25 Q9UHP3 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ HTT P42858 3/20 0.55
▸ LMNA P02545 3/20 0.54
▸ HIF1A Q16665 1/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ THRB P10828 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ USP2 O75604 1/20 0.54

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
SCHEMBL6260635 0.90 MAPT (0.61) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8172349 0.90 CCR5 (0.57) CA1CA2CCR5ALDH1A1USP28
Sulfuric Acid SCHEMBL6260385 0.85 CCR5 (0.52) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8409537 0.84 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8324940 0.84 CCR5 (0.53) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL9054195 0.84 USP28 (0.58) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL8167961 0.84 MRGPRX4 (0.55) CA1CA2ALDH1A1LMNAHIF1A
SCHEMBL8166853 0.84 STAT3 (0.57) CA1CA2ALDH1A1HTTLMNA
Sulfuric Acid SCHEMBL6260378 0.84 STAT3 (0.54) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL6260379 0.84 CCR5 (0.51) CCR5ALDH1A1USP28USP25RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 — — CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 — — CN disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 — — EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 — — US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 — — CN disclosed
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