SCHEMBL8825427

SCHEMBL8825427

O=C(O)CCCC(=O)c1ccc(O)c(CCC(=O)O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
P4HTM Q9NXG6 1/20 0.37
PDE4B Q07343 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
ADRA1A P35348 1/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 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
SCHEMBL8825555 0.83 P4HTM (0.49) HDAC6P4HTML3MBTL1LMNAKDM4E
SCHEMBL8825609 0.71 HDAC6 (0.38) HDAC6L3MBTL1KDM4EALDH1A1TP53
SCHEMBL27968060 0.70 MGAM (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9213274 0.68 PDE4B (0.49) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL19065185 0.66 ALDH1A1 (0.46) HDAC6L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL3382423 0.66 MGAM (0.57) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL9212049 0.65 GAA (0.53) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL14639439 0.65 KDM4E (0.59) HDAC6L3MBTL1LMNAKDM4EALDH1A1
SCHEMBL5849694 0.64 CTNNB1 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7
SCHEMBL29884496 0.64 CTNNB1 (0.59) HDAC6HDAC3HDAC4HDAC1HDAC7

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