SCHEMBL2879574

SCHEMBL2879574

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C2CCOCC2)C(O)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.34
TRPV1 Q8NER1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL3807295 0.89 KDM4E (0.36) CHEK1KDM4EHTTATM
SCHEMBL2876272 0.88 CHEK1 (0.35) CHEK1KDM4EHTTATM
SCHEMBL13355742 0.88 CHEK1 (0.35) CHEK1KDM4EHTTATM
SCHEMBL2871324 0.86 KDM4E (0.43) CHEK1KDM4EHTTATM
SCHEMBL3811193 0.82 TRPV1 (0.37) TRPV1KDM4EHTTATM
SCHEMBL3811154 0.82 TRPV1 (0.37) TRPV1KDM4EHTTATM
SCHEMBL3809541 0.82 TRPV1 (0.37) TRPV1KDM4EHTTATM
SCHEMBL2871201 0.81 KDM4E (0.35) TRPV1KDM4EHTTATM
SCHEMBL2874240 0.81 KDM4E (0.38) KDM4EHTTATM
SCHEMBL2877206 0.81 KDM4E (0.38) KDM4EHTTATM

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