SCHEMBL8825439

SCHEMBL8825439

COC(=O)CCCC(=O)c1ccc(OC)c(CCC(=O)OC)n1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
EGFR P00533 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL8825534 0.85 KDM4E (0.44) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL8825162 0.85 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8825338 0.82 TSHR (0.42) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL8825357 0.78 LTB4R (0.50) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL8825352 0.78 LTB4R (0.50) KDM4EALDH1A1HPGDMAPTL3MBTL1
SCHEMBL8825456 0.76 KDM4E (0.44) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL8825459 0.76 KDM4E (0.44) KDM4ETSHRALDH1A1SMN1; SMN2HPGD
SCHEMBL8825192 0.76 KDM4E (0.49) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL8825210 0.76 FDPS (0.41) KDM4ETSHRALDH1A1SMN1; SMN2MAPT
SCHEMBL8825205 0.76 FDPS (0.41) KDM4ETSHRALDH1A1SMN1; SMN2MAPT

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 3 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 disclosed
EP-0651745-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B 4? ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1995-05-10 EP disclosed
WO-1994002464-A1 NEW PYRIDINE DERIVATIVES AS LEUKCOTRIENE B4 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 1994-02-03 WO disclosed