SCHEMBL30992197

SCHEMBL30992197

CCOC(CC(C(=O)OC)c1ccc(C(=O)OC)cc1)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
MAPT P10636 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
EPHX1 P07099 1/20 0.40
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39

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
SCHEMBL30992188 0.85 RAB9A (0.50) ESR1ESR2MAPTTDP1HPGD
SCHEMBL20818838 0.84 KMT2A (0.50) L3MBTL1ESR1ESR2TDP1MEN1
SCHEMBL30992199 0.82 CTSS (0.44) L3MBTL1ESR1ESR2KMT2AHTT
SCHEMBL30992205 0.81 LDHB (0.48) ESR1ESR2
SCHEMBL4587800 0.79 L3MBTL1 (0.49) L3MBTL1ESR1ESR2MAPTCA1
SCHEMBL30992200 0.77 SLC6A3 (0.45) CYP2D6
SCHEMBL14850018 0.77 BCHE (0.53) MAPTCA1CA2TDP1CA12
SCHEMBL14966305 0.75 MAPT (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL27578524 0.75 LOXL2 (0.56) MAPTCA1CA2TDP1CA12
SCHEMBL17877688 0.75 L3MBTL1 (0.46) L3MBTL1ESR1ESR2MAPTCA1

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-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed