SCHEMBL8825282

SCHEMBL8825282

CCCCCCCCCCOc1ccc(C#Cc2ccc(C(=O)O)cc2)nc1CCC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.54
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
PLA2G4B P0C869 5/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
PTPN11 Q06124 1/20 0.46
RARB P10826 3/20 0.46
PLA2G4A P47712 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
SCHEMBL8825480 0.95 LTB4R (0.46) LTB4RTP53TSHRPLA2G4BALDH1A1
SCHEMBL8825418 0.83 PPARG (0.41) LTB4RALDH1A1HPGD
SCHEMBL8825377 0.82 CYSLTR2 (0.49) LTB4R
SCHEMBL8825213 0.81 LTB4R (0.58) LTB4R
SCHEMBL8825437 0.77 LTB4R (0.60) LTB4RTP53TSHRPLA2G4BALDH1A1
SCHEMBL8825445 0.77 LTB4R (0.60) LTB4RTP53TSHRPLA2G4BALDH1A1
SCHEMBL9284151 0.77 FFAR1 (0.47) RARB
SCHEMBL9647259 0.75 TP53 (0.85) TP53TSHRPLA2G4BPTPN11RARB
SCHEMBL10334290 0.74 ALDH1A1 (0.57) TP53TSHRPLA2G4BALDH1A1HPGD
SCHEMBL6539348 0.73 TP53 (0.82) TP53TSHRPLA2G4BPTPN11RARB

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
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US claimed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP claimed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO claimed
US-5624943-A Pyridine compounds which are useful as leukotriene-B4 -antagonists SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-29 US disclosed