SCHEMBL18155331

SCHEMBL18155331

CCC(CC)c1ccc(C=O)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.44
CCNB2 O95067 1/20 0.44
CDK1 P06493 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
CCND1 P24385 1/20 0.44
CCNB3 Q8WWL7 1/20 0.44
SRC P12931 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
KMT2A Q03164 1/20 0.41
LIPE Q05469 1/20 0.41
MAPK1 P28482 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
SCHEMBL3883024 0.87 TYR (0.46) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL18155194 0.86 MAPK1 (0.41) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3035265 0.80 MAPT (0.50) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL4567003 0.79 FFAR4 (0.46) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL6262057 0.78 FFAR4 (0.51) L3MBTL1SMN1; SMN2MAPTNPC1RAB9A
SCHEMBL865350 0.78 MAOA (0.58) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL13956364 0.78 ERN1 (0.52) ERN1CCNB2CDK1CDK4CCNB1
SCHEMBL20032400 0.77 MRGPRX4 (0.51) ERN1L3MBTL1SMN1; SMN2MAPTNPC1
SCHEMBL1311076 0.77 HDAC8 (0.65) ERN1HDAC8MAPTNPC1RAB9A
SCHEMBL12978551 0.77 LMNA (0.43) ERN1MAPK1HTTHTR1AALDH1A1

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
US-9468632-B2 Methods and compositions for targeting cancer stem cells THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-10-18 US disclosed