SCHEMBL7516982

SCHEMBL7516982

COC(=O)c1ccc(CO[C@H](COCc2ccccc2)[C@@H](O)[C@H](O)[C@@H](COCc2ccccc2)OCc2ccc(C(=O)OC)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TBXAS1 P24557 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 1/20 0.45
AR P10275 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL7990473 1.00 CA1 (0.47) CA1CA2TBXAS1MEN1KMT2A
SCHEMBL7507247 0.96 CA1 (0.44) CA1CA2TBXAS1MEN1KMT2A
SCHEMBL7502596 0.87 NR4A1 (0.49) CA1CA2TBXAS1MEN1KMT2A
SCHEMBL7989817 0.87 NR4A1 (0.49) CA1CA2TBXAS1MEN1KMT2A
SCHEMBL7975459 0.84 CA1 (0.43) CA1CA2MEN1KMT2ANPC1
SCHEMBL5742123 0.83 CA1 (0.56) CA1CA2KMT2ATSHR
SCHEMBL9233919 0.82 TSHR (0.62) CA1CA2MEN1KMT2ASMN1; SMN2
SCHEMBL7987465 0.81 CA1 (0.47) CA1CA2KMT2ATSHR
SCHEMBL7988927 0.81 CA1 (0.47) CA1CA2KMT2ATSHR
SCHEMBL7989918 0.81 CA1 (0.50) CA1CA2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175385-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS Pharmacor Inc. (CA) 2002-01-30 EP disclosed
US-6313177-B1 AS ANTIVIRAL AGENTS PHARMACOR INC. (CA) 2001-11-06 US disclosed
WO-2000066524-A1 D-MANNITOL DERIVATIVES AS HIV ASPARTYL PROTEASE INHIBITORS PHARMACOR INC. (CA) 2000-11-09 WO disclosed