SCHEMBL4952243

SCHEMBL4952243

O=C(OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
PRKCA P17252 1/20 0.40
PDE4A P27815 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 2/20 0.36
CYP1A2 P05177 1/20 0.36
LMNA P02545 3/20 0.36
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
MTNR1A P48039 3/20 0.36
MTNR1B P49286 3/20 0.36
TDP1 Q9NUW8 2/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
Mannitol SCHEMBL28834478 0.89 PDE4A (0.44) ALDH1A1PDE4AL3MBTL1ATMLMNA
Mannitol SCHEMBL27910852 0.84 KDM4E (0.44) ALDH1A1PDE4AL3MBTL1ATMMTNR1A
SCHEMBL27926287 0.82 TSHR (0.41) ALDH1A1L3MBTL1ATMCYP1A2LMNA
SCHEMBL6726577 0.81 PDE4A (0.48) ALDH1A1PRKCAPDE4AL3MBTL1ATM
SCHEMBL24453188 0.78 ALDH1A1 (0.74) ALDH1A1PRKCAL3MBTL1LMNATDP1
SCHEMBL5087849 0.78 ALDH1A1 (0.74) ALDH1A1PRKCAL3MBTL1LMNATDP1
SCHEMBL4434112 0.78 ALDH1A1 (0.74) ALDH1A1PRKCAL3MBTL1LMNATDP1
SCHEMBL7643799 0.78 ALDH1A1 (0.74) ALDH1A1PRKCAL3MBTL1LMNATDP1
SCHEMBL31379977 0.78 ALDH1A1 (0.74) ALDH1A1PRKCAL3MBTL1LMNATDP1
SCHEMBL14866787 0.77 ALDH1A1 (0.45) ALDH1A1PRKCAL3MBTL1LMNATDP1

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-7455935-B2 Ion-conductive electrolyte and cell employing the same HITACHI MAXELL, LTD. (JP) 2008-11-25 US disclosed
US-20040241553-A1 Ion-conductive electrolyte and cell employing the same HITACHI MAXELL ENERGY, LTD. (JP) 2004-12-02 US disclosed