SCHEMBL9493089

SCHEMBL9493089

CCCCCCCCCCOc1ccc(CCOc2ccccc2C(=O)O)nc1CCC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.59
NPSR1 Q6W5P4 1/20 0.51
PTPN11 Q06124 5/20 0.50
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
LMNA P02545 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
ADRA2A P08913 1/20 0.49
MAPT P10636 1/20 0.49
OPRK1 P41145 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
PTPN1 P18031 2/20 0.48
CYSLTR2 Q9NS75 2/20 0.47
CYSLTR1 Q9Y271 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTPN6 P29350 1/20 0.44

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
SCHEMBL9495931 0.82 LTB4R (0.51) LTB4RNPSR1CYSLTR2CYSLTR1
Octanedioate SCHEMBL30999498 0.81 ALDH1A1 (0.67) LTB4RNPSR1PTPN11MEN1NR1I2
SCHEMBL9490960 0.80 LTB4R (0.70) LTB4RPTPN11
SCHEMBL9490804 0.80 LTB4R (0.58) LTB4RNPSR1PTPN11MEN1NR1I2
SCHEMBL527254 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA
SCHEMBL3665313 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA
SCHEMBL18141371 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA
SCHEMBL1274781 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA
SCHEMBL112985 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA
SCHEMBL6575990 0.79 KMT2A (0.74) NPSR1PTPN11MEN1NR1I2LMNA

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 claimed
EP-0532550-A1 BENZOIC ACID DERIVATIVES 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