SCHEMBL8825555

SCHEMBL8825555

O=C(O)CCc1nc(C(=O)O)ccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.49
KDM4E B2RXH2 7/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
IGFBP3 P17936 1/20 0.40
IGFBP5 P24593 1/20 0.40
HDAC6 Q9UBN7 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KEAP1 Q14145 1/20 0.38
MGAM O43451 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FFAR1 O14842 1/20 0.36
HTT P42858 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
SCHEMBL8825427 0.83 HDAC6 (0.38) P4HTMKDM4EALOX15HDAC6L3MBTL1
SCHEMBL8825609 0.76 HDAC6 (0.38) KDM4EHDAC6L3MBTL1KEAP1ALDH1A1
SCHEMBL19065185 0.70 ALDH1A1 (0.46) KDM4EHDAC6L3MBTL1KEAP1ALDH1A1
SCHEMBL27610096 0.70 KDM4E (0.52) P4HTMKDM4EKMT2AALOX15TSHR
SCHEMBL14639439 0.69 KDM4E (0.59) KDM4EHDAC6L3MBTL1KEAP1ALDH1A1
SCHEMBL8834235 0.69 KDM4E (0.50) P4HTMKDM4EKMT2AALOX15TSHR
SCHEMBL21873545 0.67 KDM4E (0.48) P4HTMKDM4EKMT2AALOX15TSHR
SCHEMBL14919050 0.67 KDM4E (0.58) P4HTMKDM4EKMT2AALOX15TSHR
SCHEMBL934791 0.67 KDM4E (0.48) P4HTMKDM4EKMT2AALOX15TSHR
SCHEMBL7977800 0.67 KDM4E (0.48) P4HTMKDM4EKMT2AALOX15TSHR

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