SCHEMBL3404713

SCHEMBL3404713

CC(C)=C(O)[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
MTOR P42345 1/20 0.60
MDM2 Q00987 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
NT5E P21589 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.46
ST6GAL1 P15907 1/20 0.43
P2RY2 P41231 1/20 0.43
PDE4D Q08499 1/20 0.43
PDE3A Q14432 1/20 0.43
SLC29A1 Q99808 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
SCHEMBL3765868 0.88 LMNA (0.48) LMNATHRBMTORMDM2NCOA1
SCHEMBL3266289 0.86 LMNA (0.64) LMNATHRBMTORMDM2NCOA1
SCHEMBL27267985 0.85 LMNA (0.60) LMNATHRBMTORMDM2NCOA1
SCHEMBL1981224 0.85 LMNA (0.63) LMNATHRBMTORMDM2NCOA1
SCHEMBL29782854 0.84 P2RY6 (0.44) LMNATHRBMTORMDM2NCOA1
SCHEMBL5154901 0.84 LMNA (0.62) LMNATHRBMTORMDM2NCOA1
Hydrochloric Acid SCHEMBL6946856 0.84 LMNA (0.62) LMNATHRBMTORMDM2NCOA1
SCHEMBL635860 0.82 LMNA (0.60) LMNATHRBMTORMDM2NCOA1
SCHEMBL3630055 0.81 LMNA (0.59) LMNATHRBMTORMDM2NCOA1
SCHEMBL3662232 0.81 LMNA (0.59) LMNATHRBMTORMDM2NCOA1

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
CN-115232185-A Preparation process of monatibavir 迪维实验室有限公司 2022-10-25 CN disclosed
CN-102164939-A Antiviral nucleoside compounds METABASIS THERAPEUTICS INC 2011-08-24 CN disclosed
EP-2253621-A1 A SET OF GELDANAMYCIN DERIVATIVES AND THEIR PREPARATION METHODS Institute Of Medicinal Biotechnology, Chinese Academy of Medical Sciences (CN) 2010-11-24 EP disclosed