SCHEMBL9166210

SCHEMBL9166210

CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccccc2)cc(N(CC(=O)O)CC(=O)O)c1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.85
▸ BLM P54132 1/20 0.85
▸ PLA2G4B P0C869 4/20 0.55
▸ FAAH O00519 6/20 0.49
▸ TP53 P04637 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ LTA4H P09960 1/20 0.49
▸ CYSLTR2 Q9NS75 2/20 0.47
▸ CYSLTR1 Q9Y271 2/20 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
SCHEMBL9171175 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9173041 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9170017 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9164663 0.92 PLA2G2A (0.74) PLA2G2ABLMPLA2G4BLTA4H
SCHEMBL9171657 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9162996 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9168811 0.92 PLA2G2A (1.00) PLA2G2ABLMPLA2G4BTP53TSHR
Ammonia Solution, Strong SCHEMBL9174042 0.91 PLA2G2A (0.97) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9167850 0.90 PLA2G2A (0.77) PLA2G2ABLMPLA2G4BTSHRCYSLTR2
SCHEMBL9167994 0.90 PLA2G2A (0.81) PLA2G2ABLMPLA2G4BTP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP claimed
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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