SCHEMBL29630901

SCHEMBL29630901

CC(C)=CCCC1=CC(=O)OCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
FNTA P49354 2/20 0.46
PKM P14618 1/20 0.46
PGGT1B P53609 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FNTB P49356 1/20 0.40
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
MCL1 Q07820 9/20 0.37
BCL2L1 Q07817 5/20 0.37
BCL2 P10415 7/20 0.37
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
COPS5 Q92905 1/20 0.34
PLA2G2A P14555 1/20 0.33

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
SCHEMBL17967787 0.85 HIF1A (0.50) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL3943088 0.77 ALDH1A1 (0.49) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL979693 0.70
SCHEMBL29716631 0.68 ALDH1A1 (0.47) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL28585895 0.68 MEN1 (0.48) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL28594878 0.67 MEN1 (0.47) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL24531686 0.66 ALDH1A1 (0.44) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL19812700 0.64 FNTA (0.43) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL9240486 0.64 MEN1 (0.48) ALDH1A1FNTAPKMPGGT1BMEN1
SCHEMBL5438314 0.63 ALDH1A1 (0.42) ALDH1A1FNTAPKMPGGT1BMEN1

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
WO-2022085515-A1 BEER-TASTE BEVERAGE FLAVOR IMPROVING AGENT AND BEER-TASTE BEVERAGE アサヒグループホールディングス株式会社 2022-04-28 WO claimed
WO-2022085515-A1 BEER-TASTE BEVERAGE FLAVOR IMPROVING AGENT AND BEER-TASTE BEVERAGE アサヒグループホールディングス株式会社 2022-04-28 WO disclosed