SCHEMBL28058907

SCHEMBL28058907

O=C(Cc1c[nH]c(C(=O)O)c1)c1ccc(Cl)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.66
RAB9A P51151 5/20 0.57
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPT P10636 1/20 0.57
NOTUM Q6P988 1/20 0.54
NPC1 O15118 3/20 0.51
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
GSK3B P49841 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL8283551 0.85 RAB9A (0.76) DAORAB9AGAAL3MBTL1MAPT
SCHEMBL28058904 0.83 ALDH1A1 (0.60) DAORAB9AGAAL3MBTL1MAPT
SCHEMBL12858354 0.80 DAO (0.77) DAORAB9AGAAMAPTNOTUM
SCHEMBL679780 0.80 DAO (1.00) DAORAB9AGAANOTUMKMT2A
SCHEMBL1149577 0.76 DAO (0.70) DAORAB9AGAANOTUMNPC1
SCHEMBL1393818 0.75 L3MBTL1 (0.76) RAB9AL3MBTL1MAPTNPC1KMT2A
SCHEMBL1149794 0.75 DAO (0.64) DAORAB9AMAPTNOTUMNPC1
SCHEMBL29190958 0.74 HTT (0.73) DAORAB9AGAAL3MBTL1MAPT
SCHEMBL1753283 0.74 RAB9A (0.85) RAB9AL3MBTL1MAPTNPC1KMT2A
SCHEMBL31405544 0.73 L3MBTL1 (0.67) RAB9AL3MBTL1MAPTNPC1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102844318-B Be used for the treatment of the compound of respiratory syncytial virus infection BIOTA SCIENTIFIC MANAGEMENT PTY LTD. (AU) 2016-04-13 CN disclosed