SCHEMBL28017602

SCHEMBL28017602

CC(=O)C1(C(=O)O)COC(C)(C)OC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 1/20 0.34
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL9708741 0.90 FFAR3 (0.38) FFAR3KCNA4KCNA1KCNAB1MAPK1
SCHEMBL42141 0.77 FFAR3 (0.52) FFAR3KCNA4KCNA1KCNAB1MAPK1
Hydrochloric Acid SCHEMBL15522635 0.75 FFAR3 (0.50) FFAR3KCNA4KCNA1KCNAB1MAPK1
SCHEMBL18105045 0.74 ATM (0.38) MAPK1LMNASMN1; SMN2
SCHEMBL1970312 0.74 KCNA4 (0.39) FFAR3KCNA4KCNA1KCNAB1
SCHEMBL16837867 0.71 DGAT1 (0.31) SMN1; SMN2
SCHEMBL15448047 0.71 ATM (0.39) MAPK1LMNASMN1; SMN2
SCHEMBL769660 0.71
SCHEMBL5590449 0.70 KCNA4 (0.33) KCNA4KCNA1KCNAB1
SCHEMBL12731596 0.70 FFAR3 (0.33) FFAR3KCNA4KCNA1KCNAB1MAPK1

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
CN-104781261-A Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES INC 2015-07-15 CN disclosed