Sugi Predict

Sugi Predict / Compounds / SCHEMBL9494585

SCHEMBL9494585

SCHEMBL9494585

CCCCCCCCCCOc1ccc(CC(O)c2cccc(CC(=O)O)c2)nc1C=O

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 13/20 0.64
▸ PTPN11 Q06124 3/20 0.48
▸ PLA2G4B P0C869 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ PTPN6 P29350 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
SCHEMBL9491156 0.90 LTB4R (0.66) LTB4RPTPN11PLA2G4BPTPN1PTPN6
SCHEMBL9491463 0.90 LTB4R (0.66) LTB4RPTPN11PLA2G4BPTPN1PTPN6
SCHEMBL9491264 0.85 LTB4R (0.58) LTB4RPTPN11PLA2G4BPTPN1PTPN6
SCHEMBL9496031 0.85 LTB4R (0.63) LTB4R
SCHEMBL9495922 0.84 LTB4R (0.73) LTB4RPTPN11PLA2G4BPTPN1PTPN6
SCHEMBL9493040 0.79 LTB4R (0.67) LTB4R
SCHEMBL9490956 0.78 LTB4R (1.00) LTB4R
SCHEMBL9490796 0.78 LTB4R (0.83) LTB4RPTPN11
SCHEMBL9494461 0.78 LTB4R (1.00) LTB4R
SCHEMBL9490863 0.74 LTB4R (0.64) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0532634-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 — — EP disclosed
WO-1991018879-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 — — WO disclosed