SCHEMBL2879446

SCHEMBL2879446

CC1CCC(C(=O)N(c2cc(-c3cccc(F)c3)sc2OC(=O)O)C(C)C)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.36
S1PR1 P21453 1/20 0.35
GPR88 Q9GZN0 2/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 1/20 0.33
WRN Q14191 1/20 0.33
JAK2 O60674 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
MAPT P10636 2/20 0.32
HSD17B2 P37059 1/20 0.32
THRB P10828 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
MEN1 O00255 1/20 0.32
CRHBP P24387 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3807257 0.92 KDM4E (0.39) KDM4EHTTATMMAPTMEN1
SCHEMBL3814842 0.91 IKBKB (0.38) KDM4EHTTATMMAPT
SCHEMBL3812117 0.89 HSD17B1 (0.39) GRM5GPR88POLBKDM4EHTT
SCHEMBL3814712 0.89 AKR1C3 (0.37) JAK2KMT2A
SCHEMBL2879577 0.88 GPR88 (0.33) S1PR1GPR88POLBWRNJAK2
SCHEMBL2876741 0.87 POLB (0.41) GRM5S1PR1POLBKDM4EHTT
SCHEMBL3809145 0.87 TRPV1 (0.38) KDM4EHTTATMTRPM8MAPT
SCHEMBL3816914 0.86 MMP1 (0.36) GPR88KMT2A
SCHEMBL3808993 0.86 MAPT (0.41) MAPTMEN1KMT2A
SCHEMBL3808983 0.85 MAPT (0.36) POLBKDM4EMAPTHSD17B2MEN1

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