SCHEMBL2775557

SCHEMBL2775557

CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.48
▸ ALOX5 P09917 2/20 0.48
▸ BCL2A1 Q16548 2/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ NR4A2 P43354 1/20 0.45
▸ LTB4R2 Q9NPC1 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TAS2R14 Q9NYV8 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ CXCR3 P49682 1/20 0.44
▸ PSEN1 P49768 1/20 0.44
▸ PSEN2 P49810 1/20 0.44
▸ APH1B Q8WW43 1/20 0.44
▸ NCSTN Q92542 1/20 0.44
▸ APH1A Q96BI3 1/20 0.44
▸ PSENEN Q9NZ42 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PDK2 Q15119 1/20 0.43

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
SCHEMBL28628157 0.88 LTB4R2 (0.56) PTGESALOX5LTB4R2ALDH1A1SMN1; SMN2
SCHEMBL4315970 0.88 PTGES (0.54) PTGESALOX5LTB4R2MEN1KMT2A
SCHEMBL20401146 0.87 PTGES (0.48) PTGESALOX5LTB4R2ALDH1A1MEN1
SCHEMBL2643233 0.87 PTGES (0.63) PTGESALOX5NR4A2LTB4R2
SCHEMBL13064402 0.85 TP53 (0.51) BCL2A1CNR2LTB4R2ALDH1A1SMN1; SMN2
SCHEMBL2599998 0.84 BCL2A1 (0.47) BCL2A1CNR2LTB4R2PDK2PDK4
SCHEMBL2654384 0.80 STAT3 (0.52) PTGESALOX5STAT3
SCHEMBL12719411 0.79 ALDH1A1 (0.42) PTGESALOX5LTB4R2ALDH1A1MEN1
SCHEMBL13065224 0.79 LMNA (0.53) LTB4R2ALDH1A1MEN1KMT2ALMNA
SCHEMBL266144 0.78 MT-CO2 (0.46) BCL2A1ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010130638-A1 SULFONAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2010-11-18 — — WO disclosed
WO-2010130638-A1 SULFONAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF EVOTEC AG (DE) 2010-11-18 — — WO disclosed
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