SCHEMBL9490361

SCHEMBL9490361

CCCCCCCCCCOc1ccc(CC(O)c2cccc(I)c2)nc1C(Br)Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.53
MAPK1 P28482 2/20 0.40
ALOX5 P09917 2/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 1/20 0.40
GMNN O75496 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MTOR P42345 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL9491264 0.84 LTB4R (0.58) LTB4RCYSLTR2CYSLTR1PTPN11
SCHEMBL9496031 0.83 LTB4R (0.63) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL9490863 0.82 LTB4R (0.64) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL9493040 0.79 LTB4R (0.67) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL9496649 0.73 LTB4R (0.41) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL8663098 0.70 MAPK1 (0.44) LTB4RMAPK1ALOX5TP53CYP1A2
SCHEMBL9490956 0.69 LTB4R (1.00) LTB4R
SCHEMBL9494585 0.69 LTB4R (0.64) LTB4RPTPN11
SCHEMBL9494461 0.69 LTB4R (1.00) LTB4R
SCHEMBL9490796 0.69 LTB4R (0.83) LTB4RPTPN11

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-0532634-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
EP-0532550-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1993-03-24 EP disclosed
WO-1991018880-A1 BENZOIC ACID DERIVATIVES FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed
WO-1991018879-A1 PHTHALAMIC ACIDS AND THEIR ISOMERS FOR TREATING LEUKOTRIENE-RELATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1991-12-12 WO disclosed