SCHEMBL11445596

SCHEMBL11445596

CCC(=O)Oc1ccc(OC(=O)CC)cc1.[Ag]

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.73
SMN1; SMN2 Q16637 3/20 0.73
ESR1 P03372 2/20 0.73
HIF1A Q16665 2/20 0.73
RECQL P46063 1/20 0.73
ELANE P08246 1/20 0.66
MAPT P10636 5/20 0.56
HTT P42858 3/20 0.56
LMNA P02545 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
ACHE P22303 2/20 0.55
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
KDM4E B2RXH2 1/20 0.47
BCL9 O00512 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
SCHEMBL312147 0.97 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL9171166 0.91 KMT2A (0.68) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6282777 0.91 KMT2A (0.68) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL819434 0.89 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL2239096 0.89 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL7930777 0.89 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL361899 0.89 KMT2A (0.66) KMT2ASMN1; SMN2ESR1HIF1ARECQL
Methane SCHEMBL10713166 0.87 KMT2A (0.63) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL197418 0.87 KMT2A (0.63) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL9799923 0.87 KMT2A (0.63) KMT2ASMN1; SMN2ESR1HIF1ARECQL

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
US-4192877-A BIS(POLYALKOXYBENZYL)-TETRAHYDROISOQUINOLIUM ALKYL M- OR P- PHENYLENE DIPROPIONATE SALT MASSACHUSETTS GENERAL HOSPITAL (US) 1980-03-11 US disclosed