SCHEMBL8825192

SCHEMBL8825192

COC(=O)CCc1nc(CO)ccc1OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
EGFR P00533 2/20 0.39
PDE4D Q08499 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
RPS6KB2 Q9UBS0 1/20 0.35
GAA P10253 1/20 0.35
ADORA2A P29274 1/20 0.35
VDR P11473 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL17927038 0.81 CCR1 (0.45) KDM4EALDH1A1HPGDPDE4DPDE3B
SCHEMBL8825162 0.79 KDM4E (0.49) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8825161 0.78 KDM4E (0.48) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8825439 0.76 KDM4E (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL19065281 0.76 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL415443 0.75 KDM4E (0.47) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8825459 0.74 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL8825456 0.74 KDM4E (0.44) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2
SCHEMBL1410550 0.70 CYP4F2 (0.42) KDM4EALDH1A1HSD17B10MAPTLMNA
SCHEMBL8825474 0.70 KDM4E (0.45) KDM4EALDH1A1HSD17B10HPGDSMN1; SMN2

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