SCHEMBL1131692

SCHEMBL1131692

CCOC(=O)C(C)=Cc1cn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.48
PTPN2 P17706 1/20 0.48
CDC25B P30305 1/20 0.48
NR1H4 Q96RI1 1/20 0.46
PRMT5 O14744 3/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41

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
SCHEMBL1131416 1.00 PTPN1 (0.48) PTPN1PTPN2CDC25BNR1H4PRMT5
SCHEMBL1131481 0.91 PTPN1 (0.44) PTPN1PTPN2CDC25BALDH1A1ALOX5
SCHEMBL1131573 0.91 PTPN1 (0.44) PTPN1PTPN2CDC25BALDH1A1ALOX5
SCHEMBL12860246 0.88 NPSR1 (0.39) PTPN1PTPN2CDC25BALDH1A1
SCHEMBL1131258 0.83 ALOX5 (0.41) PTPN1PRMT5ALDH1A1L3MBTL1ALOX5
SCHEMBL1131830 0.82 PTPN1 (0.46) PTPN1PTPN2CDC25BNR1H4PRMT5
SCHEMBL1131834 0.82 PTPN1 (0.46) PTPN1PTPN2CDC25BNR1H4PRMT5
SCHEMBL1131706 0.82 ALOX5 (0.42) ALDH1A1ALOX5
SCHEMBL1131710 0.82 ALOX5 (0.42) ALDH1A1ALOX5
SCHEMBL1132049 0.81 PTPN11 (0.37) PTPN1PTPN2CDC25BNR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP claimed
EP-1663105-B1 CYCLOALKYL HETEROCYCLES FOR TREATING HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2011-02-16 EP disclosed