SCHEMBL1131256

SCHEMBL1131256

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 9/20 0.41
ALOX5 P09917 1/20 0.40
BTK Q06187 1/20 0.38
WDR5 P61964 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
IGF1R P08069 1/20 0.37
YAP1 P46937 2/20 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
SCHEMBL1131252 1.00 PRMT5 (0.41) PRMT5ALOX5BTKWDR5KDM4E
SCHEMBL1131560 0.91 ALOX5 (0.43) ALOX5BTKKDM4EKMT2ASMN1; SMN2
SCHEMBL1131479 0.91 ALOX5 (0.43) ALOX5BTKKDM4EKMT2ASMN1; SMN2
SCHEMBL1131706 0.89 ALOX5 (0.42) ALOX5BTKWDR5KDM4EKMT2A
SCHEMBL1131710 0.89 ALOX5 (0.42) ALOX5BTKWDR5KDM4EKMT2A
SCHEMBL1131258 0.83 ALOX5 (0.41) PRMT5ALOX5BTKKDM4EKMT2A
SCHEMBL1131573 0.81 PTPN1 (0.44) ALOX5BTKKDM4EKMT2ASMN1; SMN2
SCHEMBL1131481 0.81 PTPN1 (0.44) ALOX5BTKKDM4EKMT2ASMN1; SMN2
SCHEMBL1131416 0.79 PTPN1 (0.48) PRMT5ALOX5
SCHEMBL1131692 0.79 PTPN1 (0.48) PRMT5ALOX5

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