SCHEMBL2878697

SCHEMBL2878697

CC(=O)c1ccc(-c2cc(N(C(=O)C3CCC(C)CC3)C3CCC(O)CC3)c(OC(=O)O)s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.31
MMP12 P39900 1/20 0.31
STK17B O94768 1/20 0.30
CHEK1 O14757 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
SCHEMBL2874240 0.90 KDM4E (0.38)
SCHEMBL2877206 0.90 KDM4E (0.38)
SCHEMBL2874208 0.90 KDM4E (0.38)
SCHEMBL2879111 0.89 IKBKB (0.37)
SCHEMBL2881302 0.89 HSD17B1 (0.34) CHEK1
SCHEMBL2874941 0.89 NPC1 (0.36) HDAC6CHEK1
SCHEMBL2878694 0.87 NR1I2 (0.38) HDAC6MMP12
SCHEMBL2879246 0.87 HDAC1 (0.32) HDAC6STK17BCHEK1
SCHEMBL2876896 0.86 NR1I2 (0.31)
SCHEMBL2879449 0.85 KDM4E (0.36)

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