SCHEMBL7975459

SCHEMBL7975459

COC(=O)O[C@H](COCc1ccccc1)[C@@H](O)[C@H](O)[C@@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.41
SLC1A1 P43005 2/20 0.41
NPC1 O15118 1/20 0.40
TACR1 P25103 1/20 0.40
FOLH1 Q04609 1/20 0.40
PPARA Q07869 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
MMP14 P50281 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL5742123 0.85 CA1 (0.56) CA1CA2CA7CA9KMT2A
SCHEMBL7990473 0.84 CA1 (0.47) CA1CA2KMT2ANPC1MEN1
SCHEMBL7516982 0.84 CA1 (0.47) CA1CA2KMT2ANPC1MEN1
SCHEMBL7507247 0.81 CA1 (0.44) CA1CA2KMT2ANPC1MEN1
SCHEMBL7989817 0.81 NR4A1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7502596 0.81 NR4A1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7988927 0.80 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL7987465 0.80 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL7511915 0.80 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL7989918 0.80 CA1 (0.50) CA1CA2CA7CA9KMT2A

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