SCHEMBL7975492

SCHEMBL7975492

CC1(C)O[C@H]([C@H](O)COCc2c(F)cccc2F)[C@@H]([C@H](O)COCc2c(F)cccc2F)O1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP12 P39900 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
SCHEMBL7507530 0.85 HTT (0.39) HTTALDH1A1MEN1POLBHPGD
SCHEMBL7456495 0.81 HTT (0.36) HTTALDH1A1MEN1POLBHPGD
SCHEMBL7989177 0.80 HTT (0.43) HTT
SCHEMBL7451964 0.80 HTT (0.48) HTTMEN1POLBKMT2A
SCHEMBL7990277 0.79 HTT (0.43) HTTMEN1HPGDKMT2A
SCHEMBL7451566 0.78 HTT (0.58) HTTPOLBKMT2A
SCHEMBL7508403 0.78 HTT (0.42) HTTMEN1KMT2A
SCHEMBL7987189 0.77 IDO1 (0.41) HTTALDH1A1MEN1POLBHPGD
SCHEMBL7508484 0.76 HTT (0.40) HTTALDH1A1MEN1POLBHPGD
SCHEMBL7986938 0.76 HTT (0.43) HTTALDH1A1MEN1POLBHPGD

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