SCHEMBL28910045

SCHEMBL28910045

O=C(O)CCC(=O)OC(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.41
EGLN1 Q9GZT9 4/20 0.41
ALKBH5 Q6P6C2 1/20 0.41
SUCNR1 Q9BXA5 1/20 0.41
KDM2A Q9Y2K7 5/20 0.40
KDM5C P41229 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM6B O15054 2/20 0.40
SLC15A2 Q16348 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC13A3 Q8WWT9 1/20 0.33
OR51E2 Q9H255 1/20 0.33
TSHR P16473 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32
KDM4E B2RXH2 2/20 0.31
FOLH1 Q04609 1/20 0.31
GABRR1 P24046 1/20 0.31
NFKB1 P19838 1/20 0.31
PMP22 Q01453 1/20 0.31
TET2 Q6N021 3/20 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
SCHEMBL12019111 0.77 EGLN1 (0.36) LMNAEGLN1ALKBH5SUCNR1KDM2A
Hydrochloric Acid SCHEMBL25254551 0.76
SCHEMBL3422368 0.71 CYP2C19 (0.37) LMNAALDH1A1
SCHEMBL11136014 0.71 TRPA1 (0.37) TSHRALDH1A1
SCHEMBL68486 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM2A
SCHEMBL191308 0.71 LMNA (0.54) LMNAEGLN1ALKBH5SUCNR1KDM2A
SCHEMBL15270647 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM2A
SCHEMBL24454652 0.71 EGLN1 (0.48) LMNAEGLN1ALKBH5SUCNR1KDM2A
SCHEMBL1162348 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM2A
SCHEMBL15708432 0.71 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM2A

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-115477606-A Method for quickly converting ester into alkyne 中国科学院兰州化学物理研究所 2022-12-16 CN disclosed