SCHEMBL1698974

SCHEMBL1698974

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP2A6 P11509 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
P2RY14 Q15391 1/20 0.36
ALDH1A3 P47895 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
RAB9A P51151 1/20 0.35
PTGS2 P35354 1/20 0.34

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
SCHEMBL1698976 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ACYP2A6SMN1; SMN2
Fructose SCHEMBL5526025 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ACYP2A6SMN1; SMN2
SCHEMBL11744850 0.72 ALOX15 (0.53) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL349060 0.71 ALOX15 (0.61) ALDH1A1KMT2ASMN1; SMN2MAPT
Fructose SCHEMBL28865238 0.70 KDM4E (0.53) ALDH1A1KDM4EKMT2ALMNAMAPT
SCHEMBL945328 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2A6SMN1; SMN2
SCHEMBL27892388 0.70 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2ACYP2A6LMNA
SCHEMBL246234 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AHPGDPARP10
SCHEMBL20391698 0.70 ALDH1A1 (0.53) ALDH1A1KDM4EKMT2ACYP2A6SMN1; SMN2
SCHEMBL12517065 0.70 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2ACYP2A6SMN1; SMN2

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