SCHEMBL2870895

SCHEMBL2870895

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCC(C)(O)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
USP30 Q70CQ3 2/20 0.33
OPRM1 P35372 2/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2876842 1.00 KDM4E (0.35) KDM4EHTTATMUSP30OPRM1
SCHEMBL2874208 0.90 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2879323 0.90 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2874240 0.90 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2877206 0.90 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL3809138 0.88 OPRM1 (0.38) KDM4EHTTATMOPRM1
SCHEMBL2870891 0.87 NR1I2 (0.38) KDM4EHTTATM
SCHEMBL2870824 0.87 KDM4E (0.38) KDM4EHTTATMUSP30OPRM1
SCHEMBL2870916 0.87 NR1I2 (0.38) KDM4EHTTATM
SCHEMBL2879449 0.87 KDM4E (0.36) 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