SCHEMBL6886594

SCHEMBL6886594

O=CCc1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNB1 P14635 1/20 0.47
CCND1 P24385 1/20 0.47
CCNB3 Q8WWL7 1/20 0.47
L3MBTL1 Q9Y468 4/20 0.45
LMNA P02545 2/20 0.45
HTR1A P08908 1/20 0.44
DRD2 P14416 1/20 0.44
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGER1 P34995 2/20 0.42
FFAR1 O14842 3/20 0.42
FFAR4 Q5NUL3 3/20 0.42
KDM1A O60341 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.42
NPC1 O15118 1/20 0.42
TRPV6 Q9H1D0 1/20 0.42

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
SCHEMBL6881308 0.88 L3MBTL1 (0.48) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL872421 0.84 HTR1A (0.61) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL3959610 0.84 MAOB (0.51) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL27090052 0.83 L3MBTL1 (0.51) L3MBTL1LMNAHTR1ADRD2MAPT
SCHEMBL6885785 0.82 PTGER1 (0.49) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL11840264 0.81 L3MBTL1 (0.49) L3MBTL1LMNAHTR1ADRD2MAPT
SCHEMBL2394733 0.80 L3MBTL1 (0.48) L3MBTL1LMNAHTR1ADRD2MAPT
SCHEMBL30523700 0.80 L3MBTL1 (0.48) L3MBTL1LMNAHTR1ADRD2MAPT
SCHEMBL1654686 0.80 L3MBTL1 (0.48) L3MBTL1LMNAHTR1ADRD2MAPT
SCHEMBL2394736 0.80 L3MBTL1 (0.48) L3MBTL1LMNAHTR1ADRD2MAPT

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-2004110351-A2 HETEROCYCLIC COMPOUNDS FOR TREATING HEPATITIS C VIRUS ANADYS PHARMACEUTICALS, INC. (US) 2004-12-23 WO disclosed