SCHEMBL2235837

SCHEMBL2235837

CCCCOC(=O)/C=C/c1cc(C)c(Oc2ccc(OCc3ccccc3F)cn2)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
PTPN2 P17706 6/20 0.38
PTPN1 P18031 6/20 0.38
CDC25B P30305 6/20 0.38
PTPN6 P29350 4/20 0.38
APP P05067 5/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13582347 0.88 PTPN1 (0.43) PTPN2PTPN1CDC25BPTPN6POLB
SCHEMBL13582345 0.88 PTPN1 (0.43) PTPN2PTPN1CDC25BPTPN6POLB
SCHEMBL2231788 0.84 APP (0.38) APPMAPTMAPK1
SCHEMBL2232047 0.84 APP (0.47) ALOX5APP
SCHEMBL2232050 0.84 APP (0.47) ALOX5APP
SCHEMBL2235847 0.83 ALOX5 (0.41) ALOX5POLBMAPTMAPK1
SCHEMBL2234601 0.81 CYP4F2 (0.42) PTPN2PTPN1CDC25BPTPN6POLB
SCHEMBL2234609 0.81 CYP4F2 (0.42) PTPN2PTPN1CDC25BPTPN6POLB
SCHEMBL13583139 0.81 APP (0.43) ALOX5APPMAPTMEN1KMT2A
SCHEMBL13583137 0.81 APP (0.43) ALOX5APPMAPTMEN1KMT2A

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