Benzoin

Benzoin

SCHEMBL28129669

CCC(=O)C(N)c1ccc(N2CCOCC2)cc1.O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ALDH1A1 P00352 7/20 0.44
TSHR P16473 4/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
ESR1 P03372 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 5/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HIF1A Q16665 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41

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
SCHEMBL23094063 0.85 ALDH1A1 (0.47) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
SCHEMBL25062239 0.83 LMNA (0.57) LMNACES2CES1ALDH1A1TSHR
SCHEMBL27737317 0.81 ALDH1A1 (0.52) LMNAALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL28099027 0.79 MAOB (0.52) LMNAALDH1A1TSHRCYP3A4CYP2C19
SCHEMBL5634622 0.79 ALDH1A1 (0.48) LMNAALDH1A1SMN1; SMN2MAPTRAB9A
Benzoin SCHEMBL28129668 0.77 SMN1; SMN2 (0.46) LMNACES2CES1ALDH1A1TSHR
SCHEMBL30139082 0.76 KCNQ2 (0.54) LMNAALDH1A1TSHRCYP3A4CYP2C19
Benzoin SCHEMBL27873787 0.75 LMNA (0.40) LMNACES2CES1ALDH1A1TSHR
SCHEMBL13780574 0.74 HIF1A (0.51) LMNAALDH1A1TSHRSMN1; SMN2HPGD
Benzoin SCHEMBL28639553 0.73 ALDH1A1 (0.40) LMNACES2CES1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110402258-A Actinic-radiation curable composition, solidfied material and film DAINIPPON INK & CHEMICALS 2019-11-01 CN disclosed
CN-109328198-A Actinic-radiation curable composition and the film for using it DIC株式会社 2019-02-12 CN disclosed
CN-109312012-A Actinic-radiation curable composition and the film for using it DIC株式会社 2019-02-05 CN disclosed
CN-106459240-A Active energy ray-curable composition and film using same DIC株式会社 2017-02-22 CN disclosed