SCHEMBL2235847

SCHEMBL2235847

CCCCC(=Cc1cc(C)c(Oc2ccc(OCc3ccccc3F)cn2)c(Cl)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.41
PPARG P37231 10/20 0.41
PTGES O14684 7/20 0.41
PSEN1 P49768 12/20 0.41
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL2231793 0.84 PPARG (0.48) ALOX5PPARGPTGESPSEN1
SCHEMBL2235842 0.84 TDP1 (0.37) ALOX5PPARGPTGESPSEN1POLB
SCHEMBL2232581 0.83 ALOX5 (0.42) ALOX5PPARGPTGESPSEN1
SCHEMBL2235837 0.83 ALOX5 (0.42) ALOX5POLBMAPTMAPK1
SCHEMBL13582345 0.83 PTPN1 (0.43) POLBMAPTMAPK1
SCHEMBL13582347 0.83 PTPN1 (0.43) POLBMAPTMAPK1
SCHEMBL13582401 0.79 MAOB (0.43) MAPT
SCHEMBL13582395 0.79 MAOB (0.43) MAPT
SCHEMBL2235546 0.77 ALOX5 (0.46) ALOX5PPARGPTGESPSEN1
SCHEMBL2234601 0.77 CYP4F2 (0.42) POLBMAPTMAPK1

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