SCHEMBL11516024

SCHEMBL11516024

CCOC(=O)C(O)c1ccccc1Nc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCL8 P10145 8/20 0.58
▸ CASP1 P29466 1/20 0.50
▸ METTL3 Q86U44 1/20 0.48
▸ PTGS2 P35354 4/20 0.47
▸ TTR P02766 2/20 0.47
▸ PTGS1 P23219 2/20 0.47
▸ AKR1B10 O60218 1/20 0.47
▸ UGT1A9 O60656 1/20 0.47
▸ TRPA1 O75762 1/20 0.47
▸ ABCB11 O95342 1/20 0.47
▸ MT-CO2 P00403 1/20 0.47
▸ ALB P02768 1/20 0.47
▸ UGT1A6 P19224 1/20 0.47
▸ UGT1A1 P22309 1/20 0.47
▸ CXCR1 P25024 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ AGTR2 P50052 1/20 0.47
▸ NR1I3 Q14994 1/20 0.47
▸ SLC22A6 Q4U2R8 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL11515988 0.88 CXCL8 (0.62) CXCL8CASP1PTGS2TTRPTGS1
SCHEMBL4632797 0.81 CASP1 (0.70) CASP1ALDH1A1KMT2ATSHRHIF1A
SCHEMBL4632799 0.81 CASP1 (0.70) CASP1ALDH1A1KMT2ATSHRHIF1A
SCHEMBL11435906 0.80 CXCL8 (0.71) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL576512 0.78 CXCL8 (0.50) CXCL8CASP1METTL3PTGS2TTR
SCHEMBL11516585 0.78 CXCL8 (0.59) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL16797728 0.77 CASP1 (0.54) CASP1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL577228 0.77 CXCL8 (0.45) CXCL8METTL3PTGS2TTRPTGS1
SCHEMBL13186033 0.76 CXCL8 (0.68) CXCL8PTGS2TTRPTGS1AKR1B10
SCHEMBL28809681 0.75 CXCL8 (0.71) CXCL8METTL3PTGS2TTRPTGS1

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
US-4166128-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANTIARTHRITIC AGENTS, RHEUMATIC DISEASES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1979-08-28 — — US disclosed
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