SCHEMBL4733370

SCHEMBL4733370

CCCc1ccc(OC(=O)c2cc(O)c(O)c(O)c2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.55
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.48
CYP3A4 P08684 2/20 0.48
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
MAPT P10636 1/20 0.48
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
TSHR P16473 2/20 0.47
TAAR1 Q96RJ0 1/20 0.47
POLA1 P09884 1/20 0.47
ANTXR2 P58335 1/20 0.47
GABRA1 P14867 3/20 0.46

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
SCHEMBL4785043 0.91 PPARG (0.54) SERPINE1CYP3A4LTA4HCYP1A2
SCHEMBL2819604 0.83 KMT2A (0.67) NPC1RAB9ASMN1; SMN2MAPK1POLB
SCHEMBL13262384 0.83 SERPINE1 (0.54) SERPINE1NPC1POLBALDH1A1MEN1
SCHEMBL4734381 0.82 MEN1 (0.73) SERPINE1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL25299267 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPK1POLB
SCHEMBL3002910 0.80 SERPINE1 (0.61) SERPINE1SMN1; SMN2MAPK1POLBALDH1A1
SCHEMBL4737425 0.80 SERPINE1 (0.61) SERPINE1POLBKMT2ATDP1L3MBTL1
SCHEMBL4734191 0.80 NSD2 (0.59) SERPINE1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL2818564 0.80 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2MAPK1POLB
SCHEMBL357406 0.80 PTGS1 (0.64) NPC1RAB9ASMN1; SMN2MAPK1POLB

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