SCHEMBL2870824

SCHEMBL2870824

COC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(-c3ccccc3)sc2OC(=O)O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
ATM Q13315 1/20 0.38
ADORA3 P0DMS8 1/20 0.37
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK10 P53779 1/20 0.34
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALOX15 P16050 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32

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
SCHEMBL2879323 0.91 KDM4E (0.38) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2874240 0.91 KDM4E (0.38) KDM4EHTTATMADORA3MAPT
SCHEMBL2874208 0.91 KDM4E (0.38) KDM4EHTTATMADORA3MAPT
SCHEMBL2877206 0.91 KDM4E (0.38) KDM4EHTTATMADORA3MAPT
SCHEMBL3809138 0.89 OPRM1 (0.38) KDM4EHTTATMALDH1A1MEN1
SCHEMBL102327 0.88 KDM4E (0.42) KDM4EHTTATMADORA3MAPT
SCHEMBL2879449 0.88 KDM4E (0.36) KDM4EHTTATMMEN1KMT2A
SCHEMBL2876667 0.88 KDM4E (0.37) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2877430 0.88 KDM4E (0.37) KDM4EHTTATMMAPTALDH1A1
SCHEMBL2870895 0.87 KDM4E (0.35) KDM4EHTTATMCNR1CNR2

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-1569929-B9 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2011-09-14 EP claimed
EP-1569929-B1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC (CA) 2010-05-05 EP claimed