SCHEMBL5694473

SCHEMBL5694473

O=C(O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)CO)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
TP53 P04637 1/20 0.64
CYP2D6 P10635 1/20 0.50
PRKCA P17252 1/20 0.49
ALDH1A1 P00352 2/20 0.47
RECQL P46063 1/20 0.45
PDE4A P27815 1/20 0.42
LMNA P02545 3/20 0.40
F2 P00734 1/20 0.40
USP2 O75604 1/20 0.40
SLCO1B1 Q9Y6L6 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL29991463 0.89 TSHR (0.70) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL27598244 0.88 TSHR (0.51) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL2341687 0.88 TSHR (0.51) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL6262915 0.88 TSHR (0.51) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL1132644 0.88 TSHR (0.51) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL7208975 0.85 TSHR (0.49) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL6235860 0.83 PRKCA (0.50) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL4434115 0.83 PRKCA (0.50) TSHRTP53CYP2D6PRKCAALDH1A1
SCHEMBL5963748 0.82 TDP1 (0.43) TSHRTP53CYP2D6ALDH1A1PDE4A
SCHEMBL7353847 0.82 TSHR (0.70) TSHRTP53CYP2D6PRKCAALDH1A1

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-1667946-A1 FE(III)-COMPLEXES FOR USE AS MICRONUTRIENTS FOR FERTILIZERS Klaunzer, Norman (DE) 2006-06-14 EP disclosed
WO-2005026080-A1 FE(III)-COMPLEXES FOR USE AS MICRONUTRIENTS FOR FERTILIZERS KLAUNZER NORMAN (DE) 2005-03-24 WO disclosed