SCHEMBL2875205

SCHEMBL2875205

COC(=O)Oc1sc(-c2cccc(F)c2)cc1N(C(=O)C1CCC(C)CC1OC(C)=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTMT1 Q9BV86 1/20 0.33
F2R P25116 1/20 0.33
POLB P06746 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
SCHEMBL2876358 0.88 POLB (0.40) NTMT1F2RPOLB
SCHEMBL2879577 0.82 GPR88 (0.33) POLB
SCHEMBL2871091 0.80 IKBKB (0.45) POLB
SCHEMBL5029771 0.80 IKBKB (0.45) POLB
SCHEMBL2871093 0.80 IKBKB (0.45) POLB
SCHEMBL2158312 0.80 KDM4E (0.43) POLB
SCHEMBL2158314 0.80 KDM4E (0.43) POLB
SCHEMBL2879446 0.79 GRM5 (0.36) POLB
SCHEMBL14505565 0.76 IKBKB (0.39)
SCHEMBL5436782 0.76 HPGD (0.42)

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