Benzoin

Benzoin

SCHEMBL1786575

CCOC(C(=O)c1ccccc1)c1ccccc1.CCOCC.O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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 SCHEMBL16649154 0.96 LMNA (0.64) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL28048885 0.90 LMNA (0.72) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL28085464 0.90 LMNA (0.72) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL30282 0.90 LMNA (0.72) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL16649153 0.90 LMNA (0.72) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL9512884 0.90 LMNA (0.72) LMNACES2CES1ALDH1A1CYP3A4
SCHEMBL5446932 0.88 ALDH1A1 (0.62) LMNACES2CES1ALDH1A1CYP3A4
SCHEMBL16070720 0.88 ALDH1A1 (0.62) LMNACES2CES1ALDH1A1CYP3A4
SCHEMBL36134 0.88 ALDH1A1 (0.62) LMNACES2CES1ALDH1A1CYP3A4
Benzoin SCHEMBL3813338 0.87 LMNA (0.68) LMNACES2CES1ALDH1A1CYP3A4

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
US-9279038-B2 Method for producing cross-linked elastomer SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2016-03-08 US disclosed
US-20110116076-A1 WELDING ARC APPAREL WITH UV ACTIVATED IMAGES LINCOLN GLOBAL, INC. (US) 2011-05-19 US disclosed
US-20070105971-A1 METHOD FOR PRODUCING CROSS-LINKED ELASTOMER SEMPERIT AKTIENGESELLSCHAFT HOLDING (AT) 2007-05-10 US disclosed
EP-1762586-A2 Method for producing a crosslinked elastomer Semperit Aktiengesellschaft Holding (AT) 2007-03-14 EP disclosed