Benzoin

Benzoin

SCHEMBL28883294

CC(C)c1ccccc1C(=O)c1ccccc1.O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.64

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
CES2 O00748 1/20 0.64
CES1 P23141 1/20 0.64
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
BCL2 P10415 2/20 0.50
MCL1 Q07820 2/20 0.50
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
AKR1C3 P42330 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.42
PTGS1 P23219 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 1/20 0.42

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
Benzoin SCHEMBL25211555 0.91 LMNA (0.68) LMNACES2CES1KDM4EALDH1A1
SCHEMBL1122739 0.85 BCL2 (0.64) LMNAALDH1A1BCL2MCL1GABRA1
SCHEMBL3521079 0.84 LMNA (0.55) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL27832617 0.83 LMNA (0.66) LMNACES2CES1KDM4EALDH1A1
2-Benzoylbenzoic Acid SCHEMBL28364579 0.83 LMNA (0.70) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL9617932 0.82 LMNA (0.88) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL319403 0.82 LMNA (0.88) LMNACES2CES1KDM4EALDH1A1
Benzoin SCHEMBL28386671 0.81 LMNA (0.62) LMNACES2CES1KDM4EALDH1A1
SCHEMBL562163 0.80 LMNA (0.66) LMNACES2CES1KDM4EALDH1A1
SCHEMBL29419383 0.80 LMNA (0.66) LMNACES2CES1KDM4EALDH1A1

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-115151620-A Adhesive composition layer, laminate, optical device, and method for producing optical laminate 日东电工株式会社 2022-10-04 CN disclosed