Benzoin

Benzoin

SCHEMBL11275271

O=C(c1ccccc1)C(O)c1ccccc1.c1ccc(Oc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.75
CES2 O00748 1/20 0.75
CES1 P23141 1/20 0.75
SRD5A2 P31213 3/20 0.56
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
PARP10 Q53GL7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
PGR P06401 1/20 0.49
AKR1C3 P42330 1/20 0.49
MAPK1 P28482 1/20 0.48
NPY5R Q15761 2/20 0.48
PTGS1 P23219 1/20 0.46
CYP3A4 P08684 1/20 0.45

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 SCHEMBL23361760 0.98 LMNA (0.78) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL183095 0.98 LMNA (0.78) LMNACES2CES1SRD5A2ALDH1A1
SCHEMBL6836826 0.96 LMNA (0.69) LMNACES2CES1SRD5A2ALDH1A1
SCHEMBL6836823 0.96 LMNA (0.69) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL11274057 0.92 CES2 (0.68) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL11283019 0.90 CES2 (0.66) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL25272794 0.90 LMNA (0.66) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL11863287 0.90 LMNA (0.66) LMNACES2CES1SRD5A2ALDH1A1
Benzoin SCHEMBL145 0.87 CES2 (1.00) LMNACES2CES1ALDH1A1KDM4E
Benzoin SCHEMBL901258 0.87 CES2 (1.00) 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
US-4332884-A USING A DIOXIME CHELATING AGENT RICOH CO., LTD. (JP) 1982-06-01 US disclosed
US-4306014-A AMMONIA OR AMINES SUPPRESS THE COLOR-FORMING REACTION SYSTEM RICOH CO., LTD. (JP) 1981-12-15 US disclosed