SCHEMBL4735890

SCHEMBL4735890

O=C(OCCCc1ccccc1)c1cc(O)c(O)c(O)c1

nearest known ligand 0.91

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.83
SERPINE1 P05121 4/20 0.68
TYR P14679 3/20 0.64
ESR1 P03372 3/20 0.60
AKR1C4 P17516 1/20 0.57
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
AKR1C1 Q04828 1/20 0.57
LMNA P02545 1/20 0.55
ESR2 Q92731 1/20 0.55
PRKCG P05129 1/20 0.55
PRKCB P05771 1/20 0.55
PRKCA P17252 1/20 0.55
PRKCE Q02156 1/20 0.55
PRKCD Q05655 1/20 0.55

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
SCHEMBL4738037 0.95 L3MBTL1 (0.81) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL4731853 0.94 L3MBTL1 (0.78) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL4733137 0.91 L3MBTL1 (1.00) L3MBTL1SERPINE1TYRESR1ESR2
SCHEMBL30610043 0.87 L3MBTL1 (0.62) L3MBTL1ESR1LMNAESR2PRKCG
SCHEMBL20914991 0.87 L3MBTL1 (0.62) L3MBTL1ESR1LMNAESR2PRKCG
SCHEMBL839075 0.84 TDP1 (0.75) L3MBTL1ESR1LMNAESR2
SCHEMBL4736573 0.83 ESR1 (0.62) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL29154388 0.82 L3MBTL1 (0.61) L3MBTL1ESR1ESR2PRKCGPRKCB
SCHEMBL30674457 0.82 L3MBTL1 (0.61) L3MBTL1ESR1ESR2PRKCGPRKCB
Propyl Gallate SCHEMBL28582966 0.82 L3MBTL1 (0.72) L3MBTL1SERPINE1TYRESR1AKR1C4

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
WO-2008065527-A2 GALLIC ACID ESTERS OF FRAGRANT ALCOHOLS GHISALBERTI CARLO (BR) 2008-06-05 WO disclosed