SCHEMBL29329361

SCHEMBL29329361

CC(=O)OC1C[C@@H](COC(=O)c2ccccc2)O[C@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.42
PPM1B O75688 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA5 P30532 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4858609 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL14627118 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL13871574 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL5385406 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL5385400 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL14593729 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL4613728 1.00 NPC1 (0.49) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL20938370 0.96 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL9851830 0.96 NPC1 (0.48) NPC1POLBPPM1BCHRNB2CHRNA5
SCHEMBL24673848 0.92 NPC1 (0.46) NPC1POLBPPM1BCHRNB2CHRNA5

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
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed