SCHEMBL10909497

SCHEMBL10909497

COc1ccc(OC(=O)c2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MRGPRX4 Q96LA9 4/20 0.56
ATM Q13315 1/20 0.56
NPC1 O15118 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RXRA P19793 1/20 0.53
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP3A4 P08684 1/20 0.50
MTNR1B P49286 1/20 0.50
MAPT P10636 1/20 0.49

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
SCHEMBL10892722 0.86 KDM4E (0.58) SMPD1HDAC1HDAC8HDAC6NPC1
SCHEMBL10436239 0.86 KMT2A (0.60) NPC1HPGDRAB9ASMN1; SMN2L3MBTL1
SCHEMBL11007596 0.85 SMPD1 (0.57) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL7713567 0.85 FFAR4 (0.56) MRGPRX4RXRAHIF1AMEN1KMT2A
SCHEMBL8683738 0.85 PDE4A (0.63) MRGPRX4L3MBTL1MEN1KMT2ATDP1
SCHEMBL10799614 0.84 NPC1 (0.57) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL27598175 0.83 KMT2A (0.50) HIF1AMEN1KMT2ATDP1MAPT
SCHEMBL14451128 0.83 FFAR1 (0.54) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL11011195 0.82 SMPD1 (0.54) SMPD1HDAC1HDAC8HDAC6MRGPRX4
SCHEMBL8844454 0.82 SLC6A2 (0.60) SMPD1HDAC1HDAC8HDAC6MRGPRX4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579748-A Foodstuff containing 3-hydroxy-4-methoxyphenyl benzoates GENERAL FOODS CORP. (US) 1986-04-01 US disclosed
US-4547584-A 3-Hydroxy-4-methoxyphenyl benzoates GENERAL FOODS CORPORATION (US) 1985-10-15 US disclosed
EP-0151293-A2 3-hydroxy-4-methoxyphenyl benzoates, process for modifying the sweetness perception in a foodstuff and foodstuff compositions containing said sweetening agents GENERAL FOODS CORPORATION (US) 1985-08-14 EP disclosed