SCHEMBL9169101

SCHEMBL9169101

CCCCCCCCCCOc1ccc(OCCCCCCCCCC)c(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.61
▸ BLM P54132 1/20 0.61
▸ PLA2G4B P0C869 3/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CYSLTR2 Q9NS75 1/20 0.48
▸ CYSLTR1 Q9Y271 1/20 0.48
▸ PTPN11 Q06124 1/20 0.47
▸ RARB P10826 3/20 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
SCHEMBL9167170 0.92 PLA2G2A (0.53) PLA2G2ABLMPLA2G4BTDP1TP53
SCHEMBL9172131 0.90 PLA2G2A (0.61) PLA2G2ABLMPLA2G4BTDP1TP53
SCHEMBL9417497 0.84 TDP1 (0.51) PLA2G2ABLMPLA2G4BTDP1
SCHEMBL9163152 0.84 PLA2G2A (0.57) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9402533 0.80 PLA2G2A (0.52) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9402707 0.80 PLA2G2A (0.52) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9972488 0.79 PLA2G2A (0.74) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9168583 0.78 PLA2G2A (0.64) PLA2G2ABLMCYSLTR2CYSLTR1PTPN11
SCHEMBL9168861 0.77 PLA2G2A (0.75) PLA2G2ABLMPLA2G4BTSHRCYSLTR2
SCHEMBL28531850 0.77 PLA2G2A (0.75) PLA2G2ABLMPLA2G4BTSHRCYSLTR2

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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