SCHEMBL7680122

SCHEMBL7680122

COCOc1cc(C=O)cc(O)c1OCOC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.44
▸ AOX1 Q06278 1/20 0.44
▸ TRIM24 O15164 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALDH5A1 P51649 1/20 0.44
▸ ABAT P80404 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ TRIM33 Q9UPN9 1/20 0.44
▸ MAPK1 P28482 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ FDPS P14324 1/20 0.38
▸ BACE1 P56817 4/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.38
▸ TSHR P16473 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL21722590 0.92 ALDH1A1 (0.46) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL29220957 0.90 ALDH1A1 (0.44) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL4137984 0.88 FDPS (0.43) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL27944694 0.83 ALDH1A1 (0.48) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL30875129 0.83 ALDH1A1 (0.48) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL31471641 0.83 FDPS (0.46) ALDH1A1TRIM24HPGDALDH5A1ABAT
SCHEMBL23202773 0.81 ALDH1A1 (0.56) ALDH1A1HPGDMAPK1L3MBTL1KDM4E
SCHEMBL2744767 0.80 ALDH1A1 (0.50) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL4855402 0.79 ALDH1A1 (0.71) ALDH1A1AOX1TRIM24HPGDALDH5A1
SCHEMBL9454852 0.79 ALDH1A1 (0.67) ALDH1A1AOX1TRIM24HPGDALDH5A1

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
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 — — US disclosed
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