SCHEMBL2877183

SCHEMBL2877183

CC1COC(C(=O)N(c2cc(-c3ccccc3)sc2OC(=O)O)C(C)C)OC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.32
ALDH1A1 P00352 3/20 0.32
RAB9A P51151 3/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPT P10636 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
PTPN5 P54829 1/20 0.30
TRPV1 Q8NER1 1/20 0.30
LMNA P02545 1/20 0.30
PKM P14618 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
TP53 P04637 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
SCHEMBL2870662 0.87 TRPV1 (0.32) HPGDALDH1A1RAB9AGAANPSR1
SCHEMBL2877113 0.85 PTPRF (0.36) HPGDALDH1A1RAB9AMAPTKDM4E
SCHEMBL3807257 0.84 KDM4E (0.39) HPGDALDH1A1RAB9AGAANPSR1
SCHEMBL2873884 0.84 KDM4E (0.44) HPGDALDH1A1RAB9AGAAMAPT
SCHEMBL3809145 0.82 TRPV1 (0.38) HPGDALDH1A1RAB9AGAANPSR1
SCHEMBL3809451 0.81 NPSR1 (0.40) NPSR1KDM4EHSD17B10HTTATM
SCHEMBL3816814 0.81 KDM4E (0.39) HPGDALDH1A1RAB9AGAANPSR1
SCHEMBL3809123 0.81 NPSR1 (0.40) NPSR1KDM4EHSD17B10HTTATM
SCHEMBL3811209 0.81 TRPV1 (0.37) HPGDALDH1A1RAB9AGAANPSR1
SCHEMBL3812117 0.80 HSD17B1 (0.39) RAB9ANPSR1MAPTKDM4ENPC1

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