SCHEMBL21895697

SCHEMBL21895697

O=CC1C(O)[C@H](n2ccc3ccccc3c2=O)O[C@@H]1CO

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 12/20 0.54
P2RY4 P51582 3/20 0.54
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MTOR P42345 1/20 0.43
MDM2 Q00987 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
SLC28A1 O00337 1/20 0.42
SLC28A2 O43868 1/20 0.42
SLC29A1 Q99808 1/20 0.42
SLC28A3 Q9HAS3 1/20 0.42
MAPT P10636 1/20 0.40
CDA P32320 1/20 0.40
SLC5A2 P31639 1/20 0.40

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
SCHEMBL6795846 0.87 P2RY2 (0.62) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6795708 0.87 P2RY2 (0.62) P2RY2P2RY4LMNATHRBMTOR
Benzoic Acid SCHEMBL6800021 0.80 P2RY2 (0.55) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6798891 0.75 P2RY2 (0.81) P2RY2P2RY4
SCHEMBL6804524 0.72 LMNA (0.50) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL22796988 0.72 LMNA (0.50) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6804528 0.72 LMNA (0.50) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6797262 0.71 P2RY2 (0.64) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6797260 0.71 P2RY2 (0.64) P2RY2P2RY4LMNATHRBMTOR
SCHEMBL6796248 0.71 P2RY2 (0.64) P2RY2P2RY4LMNATHRBMTOR

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
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 WO disclosed