SCHEMBL1698976

SCHEMBL1698976

O=Cc1ccc(OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
CYP2A6 P11509 1/20 0.43
MAPT P10636 2/20 0.41
APP P05067 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A3 P47895 1/20 0.40
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 1/20 0.38
DRD1 P21728 1/20 0.37

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
SCHEMBL945328 0.81 ALDH1A1 (0.53) ALDH1A1CYP2A6MAPTAPPSMN1; SMN2
SCHEMBL10694902 0.79 ALDH1A1 (0.62) ALDH1A1CYP2A6MAPTSMN1; SMN2LMNA
SCHEMBL1698974 0.79 ALDH1A1 (0.46) ALDH1A1CYP2A6MAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL8899736 0.78 APP (0.48) ALDH1A1MAPTAPPSMN1; SMN2LMNA
SCHEMBL978754 0.78 LMNA (0.55) ALDH1A1MAPTSMN1; SMN2LMNATSHR
SCHEMBL8901490 0.78 CYP2C9 (0.44) ALDH1A1MAPTAPPSMN1; SMN2LMNA
SCHEMBL15335388 0.77 ALDH1A3 (0.50) ALDH1A1CYP2A6MAPTAPPSMN1; SMN2
SCHEMBL9151648 0.76 ALDH1A1 (0.46) ALDH1A1CYP2A6MAPTSMN1; SMN2LMNA
SCHEMBL29752747 0.76 TSHR (0.61) ALDH1A1MAPTSMN1; SMN2HPGDCYP2C9
SCHEMBL1931817 0.76 LMNA (0.58) ALDH1A1CYP2A6MAPTSMN1; SMN2LMNA

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
EP-2576753-A1 MACHINE DISHWASHER DETERGENT Henkel AG & Co. KGaA (DE) 2013-04-10 EP disclosed
WO-2011147665-A1 MACHINE DISHWASHER DETERGENT HENKEL AG & CO. KGAA (DE) 2011-12-01 WO disclosed