SCHEMBL9302084

SCHEMBL9302084

COc1ccc(OCCOc2cc(O)c(C(=O)O)c(O)c2)cc1.[Zn]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.50
NFKB2 Q00653 2/20 0.50
RELA Q04206 2/20 0.50
POLB P06746 4/20 0.49
RAB9A P51151 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
SLC5A1 P13866 2/20 0.49
SLC5A2 P31639 2/20 0.49
NPC1 O15118 2/20 0.49
TP53 P04637 2/20 0.48
PKM P14618 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MAPT P10636 2/20 0.47
HDAC8 Q9BY41 1/20 0.47
LMNA P02545 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
APEX1 P27695 1/20 0.46
TDP1 Q9NUW8 1/20 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
SCHEMBL26936 0.83 PPARD (0.55) POLBRAB9ASMN1; SMN2NPC1MAPT
Zinc Ion SCHEMBL9302075 0.83 NFKB1 (0.49) NFKB1NFKB2RELARAB9ASMN1; SMN2
SCHEMBL29378251 0.81 PPARD (0.56) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL51025 0.81 PPARD (0.56) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8943610 0.80 NPC1 (0.51) POLBRAB9ASMN1; SMN2NPC1TP53
SCHEMBL2126879 0.79 POLB (0.64) NFKB1NFKB2RELAPOLBRAB9A
SCHEMBL10595102 0.79 SLC5A1 (0.57) NFKB1NFKB2RELAPOLBRAB9A
SCHEMBL9305720 0.78 NPC1 (0.52) POLBRAB9ASMN1; SMN2NPC1TP53
SCHEMBL7761012 0.78 APP (0.55) POLBRAB9ASMN1; SMN2NPC1MAPT
SCHEMBL8062812 0.78 APP (0.55) POLBRAB9ASMN1; SMN2NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6065145-A None JP disclosed
JP-H0665145-A ZINC 4-ALKOXY-2,6-DIHYDROXYBENZOATE DERIVATIVE AND RECORDING MATERIAL USING THE SAME DAINIPPON PHARMACEUT CO LTD 1994-03-08 JP disclosed