SCHEMBL9167589

SCHEMBL9167589

CCCCCCCCCCCCCCCCCCOc1cc(OCCCCC(=O)OC)cc(N(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.57
▸ BLM P54132 1/20 0.57
▸ CNR2 P34972 13/20 0.49
▸ CNR1 P21554 10/20 0.49
▸ PPARG P37231 2/20 0.47
▸ PPARA Q07869 1/20 0.47
▸ LTA4H P09960 1/20 0.42

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
SCHEMBL9163857 0.93 PLA2G2A (0.65) PLA2G2ABLMCNR2CNR1PPARG
SCHEMBL9172248 0.90 PLA2G2A (0.61) PLA2G2ABLMCNR2CNR1LTA4H
SCHEMBL9170589 0.89 PLA2G2A (0.62) PLA2G2ABLMCNR2CNR1
SCHEMBL9170618 0.87 PLA2G2A (0.53) PLA2G2ABLMCNR2CNR1
SCHEMBL9164968 0.87 PLA2G2A (0.58) PLA2G2ABLMCNR2CNR1PPARG
SCHEMBL9172080 0.84 PLA2G2A (0.52) PLA2G2ABLMCNR2CNR1
SCHEMBL9172738 0.84 PLA2G2A (0.53) PLA2G2ABLMPPARGPPARA
SCHEMBL9163827 0.84 PLA2G2A (0.54) PLA2G2ABLMCNR2CNR1LTA4H
SCHEMBL9171087 0.84 PLA2G2A (0.81) PLA2G2ABLMCNR2CNR1PPARG
SCHEMBL9169597 0.83 PLA2G2A (0.51) PLA2G2ACNR2CNR1PPARGPPARA

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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