SCHEMBL1131691

SCHEMBL1131691

CC/C(=C(/C)C(=O)O)c1cn(C2CCCCC2)c(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
PRMT5 O14744 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HRH3 Q9Y5N1 2/20 0.39
FDFT1 P37268 1/20 0.39
BTK Q06187 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA5 P30532 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
MCL1 Q07820 1/20 0.38
IGF1R P08069 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
SCHEMBL1131417 1.00 ALOX5 (0.43) ALOX5KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL1131558 0.84 ALOX5 (0.43) ALOX5KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL1132050 0.81 CNR1 (0.38) KMT2ALMNA
SCHEMBL1131254 0.80 ALOX5 (0.42) ALOX5KDM4ESMN1; SMN2KMT2ARAB9A
SCHEMBL1131833 0.80 MDM2 (0.47) KDM4ESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL1131835 0.80 MDM2 (0.47) KDM4ESMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL1131481 0.80 PTPN1 (0.44) ALOX5KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL1131573 0.80 PTPN1 (0.44) ALOX5KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL1131692 0.77 PTPN1 (0.48) ALOX5PRMT5ALDH1A1L3MBTL1
SCHEMBL1131416 0.77 PTPN1 (0.48) ALOX5PRMT5ALDH1A1L3MBTL1

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