SCHEMBL4782103

SCHEMBL4782103

CC(CCOC(=O)c1cc(O)c(O)c(O)c1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
SERPINE1 P05121 4/20 0.57
TYR P14679 3/20 0.55
ESR1 P03372 2/20 0.52
EGFR P00533 1/20 0.51
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL4733680 0.86 SERPINE1 (0.56) L3MBTL1SERPINE1TYRESR1
SCHEMBL17629339 0.85 LMNA (0.59) EGFRALDH1A1PKMKMT2A
SCHEMBL27860445 0.84 L3MBTL1 (0.61) L3MBTL1SERPINE1TYRESR1AKR1C4
Phenol SCHEMBL29175532 0.83 L3MBTL1 (0.59) L3MBTL1SERPINE1TYRESR1AKR1C4
Propyl Gallate SCHEMBL28582967 0.81 ESR1 (0.57) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL65229 0.81 SERPINE1 (0.70) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL28756896 0.79 SERPINE1 (0.68) L3MBTL1SERPINE1TYRESR1AKR1C4
SCHEMBL1836943 0.77 CHRNB2 (0.47) EGFRKDM4EALDH1A1KMT2A
SCHEMBL1836939 0.77 CHRNB2 (0.47) EGFRKDM4EALDH1A1KMT2A
SCHEMBL4736187 0.77 SERPINE1 (0.64) 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