SCHEMBL8825534

SCHEMBL8825534

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
EGFR P00533 2/20 0.38
MIF P14174 1/20 0.36
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL8825439 0.85 KDM4E (0.46) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL8825427 0.80 HDAC6 (0.38) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL8825474 0.79 KDM4E (0.45) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL8825306 0.77 KDM4E (0.48) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL8825252 0.74 KDM4E (0.46) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL8825338 0.72 TSHR (0.42) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL19065281 0.71 ALDH1A1 (0.46) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL9212971 0.70 ALDH1A1 (0.44) TSHRALDH1A1HPGDHSD17B10HTT
SCHEMBL8825644 0.70 KDM4E (0.42) KDM4ETSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL8825231 0.69 EGFR (0.33) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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