SCHEMBL16631348

SCHEMBL16631348

CCC(CC)P(=O)(O)OC(C)(CC)C[C@H]1O[C@@H](c2c(Cn3cc(-c4ccccc4)nn3)[nH]c(=O)[nH]c2=O)[C@@H](O)C1O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GGPS1 O95749 1/20 0.31
GBA1 P04062 2/20 0.31
CYP19A1 P11511 1/20 0.30
MEN1 O00255 1/20 0.30
CASP3 P42574 1/20 0.30
KMT2A Q03164 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL16631346 0.84
SCHEMBL16631464 0.79 LGALS3 (0.46) GBA1CYP19A1
SCHEMBL16631350 0.79 TK2 (0.33) CYP19A1
SCHEMBL18080067 0.77 P2RY2 (0.46)
SCHEMBL16631373 0.75
SCHEMBL16631600 0.70 P2RY2 (0.44)
SCHEMBL18080062 0.69 P2RY2 (0.44)
SCHEMBL18080086 0.69 P2RY2 (0.44)
SCHEMBL16631534 0.69 LGALS1 (0.35)
SCHEMBL16631476 0.68 TK2 (0.42) MEN1KMT2A

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 WO disclosed