SCHEMBL21100115

SCHEMBL21100115

C[C@@H](OC(=O)c1ccccc1)[C@@H]1C[C@H](O)[C@](C)(n2ccc(=O)[nH]c2=O)O1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.36
POLB P06746 2/20 0.35
HSD17B10 Q99714 1/20 0.35
NPC1 O15118 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TYMP P19971 1/20 0.32
GAA P10253 1/20 0.32
DUT P33316 2/20 0.32
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL21099790 0.80 CRBN (0.33) DUT
SCHEMBL21099786 0.77 POLB (0.35) POLBHSD17B10GAAKMT2A
SCHEMBL21100413 0.73 POLB (0.33) POLBHSD17B10GAAKMT2A
SCHEMBL13470537 0.72 POLB (0.34) POLBHSD17B10NPC1CYP3A4CYP2C9
SCHEMBL13470535 0.72 POLB (0.34) POLBHSD17B10NPC1CYP3A4CYP2C9
SCHEMBL21099791 0.70 POLB (0.35) POLBHSD17B10CYP3A4CYP2C9DUT
SCHEMBL13470531 0.69 ABCB1 (0.34) POLBHSD17B10KMT2A
SCHEMBL13470609 0.69 POLB (0.34) TLR7POLBHSD17B10NPC1KMT2A
SCHEMBL805145 0.68 CYP3A4 (0.45) POLBHSD17B10CYP3A4CYP2C9DUT
SCHEMBL21099784 0.68 POLB (0.33) POLBHSD17B10KMT2A

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-2697241-B1 1'-SUBSTITUTED PYRIMIDINE N-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-06-12 EP disclosed