SCHEMBL28866979

SCHEMBL28866979

C#Cc1ccc(C(=O)OC)cc1OC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
NOTUM Q6P988 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
SCHEMBL31139622 0.88 MAPT (0.44) MAPTCA1CA2CA12CA7
SCHEMBL28956905 0.88 MAPT (0.44) MAPTCA1CA2CA12CA7
SCHEMBL2339227 0.84 MAPT (0.57) MAPTCA1CA2CA12CA7
SCHEMBL2805140 0.83 MAPT (0.42) MAPTCA1CA2CA12CA7
SCHEMBL24425908 0.80 MAPT (0.50) MAPTCA1CA2CA12CA7
SCHEMBL30488306 0.79 XDH (0.54) MAPTXDHLMNA
SCHEMBL1807138 0.79 XDH (0.54) MAPTXDHLMNA
SCHEMBL2827824 0.78 NOTUM (0.56) MAPTCA1CA2CA12CA7
SCHEMBL6568018 0.78 MAPT (0.66) MAPTCA1CA2CA12CA7
SCHEMBL28663604 0.78 MAPT (0.66) MAPTCA1CA2CA12CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114907297-B Method for preparing benzodihydrofuran derivative by tandem connection of visible light catalytic 2-alkynyl aryl ether and sulfonyl chloride 湖南警察学院 2024-09-24 CN disclosed
CN-114907297-A Method for preparing benzodihydrofuran derivative by visible light catalysis of 2-alkynyl aryl ether and sulfonyl chloride in series 湖南警察学院 2022-08-16 CN disclosed