Benzoin

Benzoin

SCHEMBL28089113

C=C(C)C.N.O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.78
CES2 O00748 5/20 0.78
CES1 P23141 4/20 0.78
ALDH1A1 P00352 3/20 0.60
KDM4E B2RXH2 1/20 0.60
HPGD P15428 1/20 0.59
TDP1 Q9NUW8 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
ATM Q13315 1/20 0.43

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 SCHEMBL28324887 0.96 LMNA (0.78) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL28833375 0.93 LMNA (0.72) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL28190277 0.91 LMNA (0.70) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL812299 0.91 LMNA (0.75) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL11786930 0.91 LMNA (0.75) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL8865268 0.90 LMNA (0.88) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL337105 0.90 LMNA (0.88) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL29547947 0.90 CES2 (0.95) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL9490022 0.89 LMNA (0.84) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL4557692 0.88 LMNA (0.91) LMNACES2CES1ALDH1A1KDM4E

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-105860995-B A kind of composition, liquid crystal display device and preparation method thereof 京东方科技集团股份有限公司 2019-01-22 CN disclosed
CN-105860995-A Composition, liquid crystal display device and preparation method of liquid crystal device 京东方科技集团股份有限公司 2016-08-17 CN disclosed