SCHEMBL4734191

SCHEMBL4734191

CCCc1ccc(OC(=O)c2cc(O)c(O)c(O)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.59
MAPT P10636 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
SERPINE1 P05121 3/20 0.53
THRB P10828 3/20 0.53
ESR1 P03372 2/20 0.53
TYR P14679 1/20 0.52
PLA2G1B P04054 1/20 0.52
KMT2A Q03164 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.47
POLA1 P09884 1/20 0.47
ANTXR2 P58335 1/20 0.47

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
SCHEMBL4736293 0.89 NSD2 (0.65) NSD2RAB9ASERPINE1ESR1TYR
SCHEMBL27547306 0.89 ESR1 (0.56) NSD2MAPTSMN1; SMN2SERPINE1THRB
SCHEMBL30354554 0.84 THRB (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL10633416 0.84 THRB (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL13286804 0.83 NSD2 (0.81) NSD2MAPTSMN1; SMN2SERPINE1ESR1
SCHEMBL4734902 0.81 NSD2 (0.63) NSD2MAPTNPC1SERPINE1THRB
SCHEMBL4059175 0.81 MAPT (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL14399793 0.81 MAPT (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL6013651 0.81 KMT2A (0.58) MAPTSMN1; SMN2NPC1CASP3RAB9A
SCHEMBL4063764 0.81 MAPT (0.62) MAPTSMN1; SMN2NPC1CASP3RAB9A

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