SCHEMBL7498490

SCHEMBL7498490

CC(C)(C)OC(=O)NC(CCCCNS(=O)(=O)c1c(Cl)ccc(N(C(N)=O)c2cccc(Cl)c2Cl)c1O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
TGM2 P21980 3/20 0.35
SIRT5 Q9NXA8 1/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
FOLH1 Q04609 1/20 0.34
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
CTSK P43235 1/20 0.33
KMT2A Q03164 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL6565711 0.81 ALDH1A1 (0.56) ALDH1A1TSHRLMNAPKMSIRT5
SCHEMBL6563192 0.81 CXCR2 (0.51) ALDH1A1TSHRSIRT5
SCHEMBL7663605 0.78 KMT2A (0.40) TSHRLMNAPKMCA1CA2
SCHEMBL6563000 0.78 ALDH1A1 (0.54) ALDH1A1TSHRSIRT5FOLH1HDAC4
SCHEMBL6565740 0.77 ALDH1A1 (0.55) ALDH1A1TSHRTGM2SIRT5CA1
SCHEMBL28941368 0.77 CXCR2 (0.38) ALDH1A1LMNAPKMKMT2A
SCHEMBL6564159 0.74 ALDH1A1 (0.52) ALDH1A1TSHRSIRT5CA1CA2
SCHEMBL6564143 0.69 ALDH1A1 (0.47) ALDH1A1TSHRCA1CA2HDAC4
SCHEMBL2533467 0.69 CXCR2 (0.51) TSHRCA1KMT2A
SCHEMBL3726205 0.68 ALDH1A1 (0.89) ALDH1A1TSHRLMNATGM2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161232-A4 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-09-18 EP disclosed
EP-1161232-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-12-12 EP disclosed
WO-2000035442-A1 HYDROXY DIPHENYL UREA SULFONAMIDES AS IL-8 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-06-22 WO disclosed