SCHEMBL8586151

SCHEMBL8586151

COC(=O)N(C)CCc1ccc(O)c(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
HDAC1 Q13547 9/20 0.42
HDAC6 Q9UBN7 8/20 0.42
KMT2A Q03164 1/20 0.41
ALOX5 P09917 1/20 0.40
OR51E2 Q9H255 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PLK4 O00444 1/20 0.39
AURKA O14965 1/20 0.39
NUAK1 O60285 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL2018753 0.80 TAAR1 (0.55) HDAC1HDAC6KMT2AALDH1A1HPGD
SCHEMBL2016545 0.78 TAAR1 (0.59) KMT2AALDH1A1ACHE
SCHEMBL1745479 0.76 ALOX5 (0.51) CCR6HKDC1HDAC1HDAC6ALOX5
SCHEMBL3683771 0.74 ALOX5 (0.46) CCR6HKDC1HDAC1HDAC6ALOX5
SCHEMBL2097870 0.73 NPY5R (0.56) HDAC1HDAC6KMT2AALOX5
SCHEMBL8583957 0.73 PTGS1 (0.40) KMT2ACDK8CLK4CYP3A4ACHE
SCHEMBL6942019 0.72 HIF1A (0.53) ALOX5IGF1RCYP3A4HIF1AHSD17B10
SCHEMBL30027871 0.72 ALDH1A1 (0.66) HDAC1HDAC6KMT2AHDAC3HDAC2
SCHEMBL1303490 0.72 ALDH1A1 (0.66) HDAC1HDAC6KMT2AHDAC3HDAC2
SCHEMBL11528973 0.72 ALOX15 (0.54) HDAC1HDAC6ALOX5IGF1RHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998037056-A1 PHENOXYPROPANOLAMINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITHKLINE BEECHAM PLC (GB) 1998-08-27 WO disclosed