SCHEMBL9490804

SCHEMBL9490804

CCCCCCCCCCOc1ccc(CCOc2ccccc2C(=O)O)nc1C=CCO

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.58
PTPN11 Q06124 3/20 0.48
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PTPN1 P18031 2/20 0.46
S1PR3 Q99500 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL9490960 0.90 LTB4R (0.70) LTB4RPTPN11
SCHEMBL9491165 0.86 LTB4R (0.47) LTB4R
SCHEMBL9490866 0.85 LTB4R (0.44) LTB4RMEN1NR1I2LMNACHRM2
SCHEMBL9493089 0.80 LTB4R (0.59) LTB4RPTPN11MEN1NR1I2LMNA
SCHEMBL9493047 0.79 LTB4R (0.48) LTB4RMEN1NR1I2LMNACHRM2
SCHEMBL9491471 0.78 LTB4R (0.47) LTB4R
SCHEMBL527254 0.78 KMT2A (0.74) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL18141371 0.78 KMT2A (0.74) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL6575990 0.78 KMT2A (0.74) PTPN11MEN1NR1I2LMNACHRM2
SCHEMBL112985 0.78 KMT2A (0.74) PTPN11MEN1NR1I2LMNACHRM2

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