SCHEMBL4758670

SCHEMBL4758670

CCC(=O)Oc1ccc(OCC=NO)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ESR1 P03372 2/20 0.51
HIF1A Q16665 2/20 0.51
RECQL P46063 1/20 0.51
ELANE P08246 1/20 0.47
MAPT P10636 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ACHE P22303 2/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.38
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL20342007 0.81 KMT2A (0.56) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11261082 0.80 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL312147 0.78 KMT2A (0.76) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11445596 0.76 KMT2A (0.73) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL28707226 0.75 KMT2A (0.61) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL2705415 0.74 ESR1 (0.59) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL7403966 0.74 KMT2A (0.59) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL9171166 0.73 KMT2A (0.68) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL6282777 0.73 KMT2A (0.68) KMT2ASMN1; SMN2ESR1HIF1ARECQL
SCHEMBL11673182 0.73 LTA4H (0.58) 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
WO-2008010238-A2 ANTIDIABETIC AZABICYCLO [3. 1. 0] HEXAN COMPOUNDS LUPIN LIMITED (IN) 2008-01-24 WO disclosed