Benzoin

Benzoin

SCHEMBL9679129

CC(C)c1ccc2c(c1)Cc1ccccc1[S+]2[O-].O=C(c1ccccc1)C(O)c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
CES2 O00748 3/20 0.47
CES1 P23141 3/20 0.47
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HPGD P15428 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KAT6A Q92794 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL41595 0.83 HSP90AA1 (0.35) LMNAALDH1A1KDM4ENPSR1HSP90AA1
SCHEMBL8061367 0.82 MAPK1 (0.34) LMNAALDH1A1KDM4ENPSR1HSP90AA1
SCHEMBL11824387 0.78 PTGS1 (0.47) LMNAALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL15281929 0.76 CHRM2 (0.32) HSP90AA1HSP90AB1TDP1TSHRCYP2C19
SCHEMBL2149955 0.75 HSP90AA1 (0.35) LMNAALDH1A1KDM4EHSP90AA1HSP90AB1
SCHEMBL6835951 0.73 LMNA (0.74) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL6835950 0.72 LMNA (0.71) LMNACES2CES1ALDH1A1KDM4E
SCHEMBL11832212 0.71 GABRP (0.36) LMNAALDH1A1SMN1; SMN2HPGDTSHR
Acetophenone SCHEMBL10711564 0.71 MAPT (0.43) LMNACES2CES1ALDH1A1SMN1; SMN2
SCHEMBL11046607 0.71 USP2 (0.36) ALDH1A1HPGDTSHR

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
US-5100767-A Epoxy resins TAMURA KAKEN CO., LTD. (JP) 1992-03-31 US claimed