SCHEMBL2877430

SCHEMBL2877430

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCSCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
USP30 Q70CQ3 1/20 0.32
NR1I2 O75469 2/20 0.32
OPRM1 P35372 3/20 0.32
CNR2 P34972 2/20 0.32
CNR1 P21554 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL2876667 1.00 KDM4E (0.37) KDM4EHTTATMUSP30NR1I2
SCHEMBL2874240 0.91 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL2879323 0.91 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL3809138 0.91 OPRM1 (0.38) KDM4EHTTATMOPRM1MEN1
SCHEMBL2877206 0.91 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL2874208 0.91 KDM4E (0.38) KDM4EHTTATMUSP30NR1I2
SCHEMBL3807295 0.89 KDM4E (0.36) KDM4EHTTATMUSP30OPRM1
SCHEMBL2871147 0.89 KDM4E (0.36) KDM4EHTTATMUSP30
SCHEMBL2878990 0.89 KDM4E (0.36) KDM4EHTTATMUSP30NR1I2
SCHEMBL2870824 0.88 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1

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