SCHEMBL29130697

SCHEMBL29130697

O=C(COI)OC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
F2 P00734 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 3/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TP53 P04637 1/20 0.41
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL8773117 0.82 TDP1 (0.57) LMNAF2TDP1TSHRKMT2A
SCHEMBL3994317 0.82 LMNA (0.54) LMNAF2TDP1TSHRKMT2A
SCHEMBL27285921 0.81 TSHR (0.55) LMNAF2TDP1TSHRKMT2A
SCHEMBL2611692 0.79 TSHR (0.58) LMNAF2TDP1TSHRKMT2A
SCHEMBL9318015 0.79 LMNA (0.56) LMNAF2TDP1TSHRKMT2A
SCHEMBL13275229 0.78 LMNA (0.53) LMNAF2TDP1TSHRKMT2A
SCHEMBL27868609 0.78 LMNA (0.49) LMNAF2TDP1TSHRKMT2A
SCHEMBL3994318 0.78 LMNA (0.54) LMNAF2TDP1TSHRKMT2A
SCHEMBL242716 0.78 LMNA (0.57) LMNAF2TDP1TSHRKMT2A
Water SCHEMBL21440321 0.78 LMNA (0.54) LMNAF2TDP1TSHRKMT2A

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-117303995-A Method for preparing high-tension quaternary cycloalkane fuel by cyclic ketone or cyclic alcohol one-pot method and application of fuel 西北工业大学重庆科创中心 2023-12-29 CN disclosed