SCHEMBL8825474

SCHEMBL8825474

COC(=O)CCCCc1ccc(O)c(CCC(=O)OC)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
HPGD P15428 3/20 0.44
MIF P14174 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TSHR P16473 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
P2RY12 Q9H244 1/20 0.39
EGFR P00533 2/20 0.38
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
LTB4R Q15722 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
SCHEMBL19065281 0.84 ALDH1A1 (0.46) KDM4EHPGDMIFALDH1A1SMN1; SMN2
SCHEMBL8825211 0.81 CYP4F2 (0.49) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL18981803 0.80 HPGD (0.44) KDM4EHPGDMIFALDH1A1SMN1; SMN2
SCHEMBL8825405 0.79 HPGD (0.50) KDM4EHPGDALDH1A1HSD17B10CA1
SCHEMBL8825534 0.79 KDM4E (0.44) KDM4EHPGDMIFALDH1A1SMN1; SMN2
SCHEMBL8825306 0.78 KDM4E (0.48) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL8825252 0.75 KDM4E (0.46) KDM4EHPGDALDH1A1SMN1; SMN2HSD17B10
SCHEMBL9176305 0.74 CYP4F2 (0.47) KDM4EHPGDALDH1A1HSD17B10
SCHEMBL24259216 0.74 KMT2A (0.47) KDM4EHPGDMIFALDH1A1TSHR
SCHEMBL9146179 0.72 HPGD (0.45) KDM4EHPGDMIFALDH1A1TSHR

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