SCHEMBL8825445

SCHEMBL8825445

CCCCCCCCCCOc1ccc([C@H](O)[C@@H](O)c2ccc(C(=O)O)cc2)nc1CCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.60
PTPN11 Q06124 1/20 0.45
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
PLA2G4B P0C869 2/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
RARB P10826 3/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41

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
SCHEMBL8825437 1.00 LTB4R (0.60) LTB4RPTPN11TP53TSHRPLA2G4B
SCHEMBL8825147 0.83 PPARG (0.45) LTB4R
SCHEMBL8825282 0.77 LTB4R (0.54) LTB4RPTPN11TP53TSHRPLA2G4B
SCHEMBL9493086 0.75 LTB4R (1.00) LTB4RPTPN11
SCHEMBL8825480 0.70 LTB4R (0.46) LTB4RTP53TSHRPLA2G4BALDH1A1
SCHEMBL9491693 0.70 LTB4R (0.60) LTB4RPTPN11
SCHEMBL9445352 0.69 LTB4R (0.70) LTB4RPTPN11CYSLTR2CYSLTR1
SCHEMBL9493089 0.69 LTB4R (0.59) LTB4RPTPN11ALDH1A1CYSLTR2CYSLTR1
SCHEMBL9445193 0.68 PLA2G2D (0.58) LTB4RPTPN11TP53TSHRPLA2G4B
SCHEMBL1200986 0.67 ALDH1A1 (0.69) PTPN11TP53TSHRPLA2G4BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed