SCHEMBL9172212

SCHEMBL9172212

CCCCCCCCCCCCCCCCCCOc1cc(N(CC(=O)O)CC(=O)O)ccc1OCCC(CC)Oc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ CYSLTR2 Q9NS75 8/20 0.41
▸ CYSLTR1 Q9Y271 8/20 0.41
▸ POLB P06746 1/20 0.39
▸ CASP6 P55212 1/20 0.39
▸ KEAP1 Q14145 1/20 0.39
▸ NFE2L2 Q16236 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PTGES O14684 1/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ PPARA Q07869 1/20 0.38

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
SCHEMBL9169470 0.87 PLA2G2A (0.69) PLA2G2ABLMCYSLTR2CYSLTR1PTPN11
SCHEMBL9172394 0.87 PLA2G2A (0.69) PLA2G2ABLMCYSLTR2CYSLTR1PTPN11
SCHEMBL9164913 0.87 PLA2G2A (0.69) PLA2G2ABLMCYSLTR2CYSLTR1PTPN11
SCHEMBL9170306 0.85 PLA2G2A (0.62) PLA2G2ABLMCYSLTR2CYSLTR1POLB
SCHEMBL9168583 0.84 PLA2G2A (0.64) PLA2G2ABLMCYSLTR2CYSLTR1KEAP1
SCHEMBL9168861 0.74 PLA2G2A (0.75) PLA2G2ABLMCYSLTR2CYSLTR1PPARG
SCHEMBL28531850 0.74 PLA2G2A (0.75) PLA2G2ABLMCYSLTR2CYSLTR1PPARG
SCHEMBL9167727 0.73 PLA2G2A (0.51) PLA2G2ABLMPPARGPPARA
SCHEMBL9168493 0.73 PLA2G2A (0.44) PLA2G2ABLMPTPN11PPARGPTGES
SCHEMBL9170524 0.72 PLA2G2A (0.53) PLA2G2ABLMPTPN11PPARGPPARA

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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