SCHEMBL7989177

SCHEMBL7989177

CC1(C)O[C@H]([C@H](O)COCc2cccc(F)c2)[C@@H]([C@H](O)COCc2cccc(F)c2)O1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAN2A1 Q16706 1/20 0.39
MAN1B1 Q9UKM7 1/20 0.39
MAOB P27338 9/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FFAR1 O14842 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NR4A2 P43354 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL7990277 0.84 HTT (0.43) HTTIDO1AGXTMAOB
SCHEMBL7451566 0.84 HTT (0.58) HTT
SCHEMBL7975492 0.80 HTT (0.37) HTT
SCHEMBL7987189 0.80 IDO1 (0.41) HTTIDO1AGXTTDP1MAOB
SCHEMBL7451964 0.79 HTT (0.48) HTTIDO1KDM4ETDP1
SCHEMBL7450571 0.79 HTT (0.53) HTT
SCHEMBL7986938 0.79 HTT (0.43) HTT
SCHEMBL7510301 0.79 HTT (0.32) HTTKDM4ETDP1
SCHEMBL7507063 0.78 HTT (0.45) HTT
SCHEMBL7989793 0.77 HTT (0.44) HTTAGXT

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
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed