SCHEMBL22474965

SCHEMBL22474965

O=C(OC[C@@H]1CC[C@@H](OC(=O)c2ccccc2)O1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
CHRNB2 P17787 1/20 0.46
CHRNA5 P30532 1/20 0.46
CHRNA7 P36544 1/20 0.46
CHRNA4 P43681 1/20 0.46
PPM1B O75688 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL13531183 1.00 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL24739169 1.00 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL20610905 1.00 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL30867002 0.91 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL10699151 0.91 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL18483496 0.91 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL30324499 0.91 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL19060080 0.91 NPC1 (0.48) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL22021925 0.87 NPC1 (0.50) NPC1CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL10699873 0.82 NPC1 (0.50) NPC1CHRNB2CHRNA5CHRNA7CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3797782-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTIONS Janssen BioPharma, Inc. (US) 2021-03-31 EP disclosed
EP-3160476-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF FOR USE IN THE TREATMENT OF VIRAL INFECTION JANSSEN BIOPHARMA INC (US) 2020-09-30 EP disclosed