SCHEMBL2236518

SCHEMBL2236518

CCCCC(=Cc1ccc(Oc2ccc(N)cn2)c(Cl)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.43
PTGES O14684 7/20 0.41
PPARG P37231 6/20 0.41
ACACB O00763 5/20 0.41
PSEN1 P49768 6/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL2235014 0.88 MEN1 (0.43) ALOX5PTGESPPARGPSEN1
SCHEMBL2232569 0.85 MAPT (0.54) ALOX5KDM4EPOLB
SCHEMBL2236515 0.79 THRA (0.40) ACACBKDM4EPOLB
SCHEMBL2236512 0.78 APP (0.50) ACACBKDM4E
SCHEMBL2236531 0.77 ALOX5 (0.43) ALOX5PTGESPPARGPSEN1
SCHEMBL13582057 0.77 KDM4E (0.44) ACACBKDM4EPOLB
SCHEMBL13582053 0.77 KDM4E (0.44) ACACBKDM4EPOLB
SCHEMBL2232581 0.74 ALOX5 (0.42) ALOX5PTGESPPARGPSEN1
SCHEMBL2232408 0.72 ALOX5 (0.47) ALOX5PTGESPPARGPSEN1
SCHEMBL13742644 0.71 ACACB (0.45) ACACBKDM4EPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011093524-A1 DI - SUBSTITUTED PYRIDINE DERIVATIVES AS ANTICANCERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-08-04 WO disclosed