SCHEMBL2875207

SCHEMBL2875207

CC1=CCC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C(C)C)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
RAB9A P51151 4/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 1/20 0.32
HPGD P15428 3/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
USP30 Q70CQ3 2/20 0.32
LMNA P02545 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 2/20 0.30
GAA P10253 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
SCHEMBL2880980 0.92 IKBKB (0.35) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL3812197 0.90 HPGD (0.33) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL2875206 0.86 KDM4E (0.36) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL2876340 0.86 KDM4E (0.35) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL3809451 0.85 NPSR1 (0.40) KDM4EHTTATMTSHRHSD17B10
SCHEMBL3816814 0.85 KDM4E (0.39) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL3809123 0.85 NPSR1 (0.40) KDM4EHTTATMTSHRHSD17B10
SCHEMBL3808982 0.84 KDM4E (0.34) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL3807257 0.84 KDM4E (0.39) KDM4EHTTATMRAB9AALDH1A1
SCHEMBL2879128 0.82 HPGD (0.32) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2

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