SCHEMBL15548945

SCHEMBL15548945

CCC(=O)Oc1ccc(OC(=O)CCCC(C)(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ESR1 P03372 2/20 0.53
HIF1A Q16665 2/20 0.53
RECQL P46063 1/20 0.53
ELANE P08246 2/20 0.49
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
ACHE P22303 2/20 0.42
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL15547475 0.95 KMT2A (0.51) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL15548696 0.94 KMT2A (0.50) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL2293649 0.85 PRSS1 (0.51) KMT2ARECQLELANEMAPTHSD17B10
SCHEMBL15547764 0.84 KMT2A (0.50) KMT2AESR1HIF1ARECQLELANE
SCHEMBL2291105 0.80 PRSS1 (0.54) KMT2ASMN1; SMN2RECQLELANEMAPT
SCHEMBL312147 0.80 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL15547473 0.80 MEN1 (0.49) KMT2AESR1HIF1ARECQLELANE
SCHEMBL15548919 0.79 KMT2A (0.62) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL17974115 0.79 PRSS1 (0.56) KMT2ASMN1; SMN2RECQLELANEMAPT
SCHEMBL15548658 0.78 MEN1 (0.48) KMT2AESR1HIF1ARECQLELANE

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
EP-2872538-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME Indian Oil Corporation Ltd (IN) 2015-05-20 EP claimed
WO-2014013401-A1 ZIEGLER-NATTA CATALYST SYSTEMS COMPRISING A 1,2-PHENYLENEDIOATE AS INTERNAL DONOR AND PROCESS FOR PREPARING THE SAME INDIAN OIL CORPORATION LIMITED (IN) 2014-01-23 WO claimed