SCHEMBL11742452

SCHEMBL11742452

CCC(=O)N1CCc2cc(OCC3CO3)c(OC)cc2C1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 2/20 0.50
KDM4E B2RXH2 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TP53 P04637 1/20 0.50
ABCB1 P08183 2/20 0.49
RAB9A P51151 1/20 0.49
ABCC1 P33527 1/20 0.49
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DPP8 Q6V1X1 1/20 0.47
TSHR P16473 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
SCHEMBL11743442 0.89 MAPT (0.51) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL14996180 0.86 KMT2A (0.67) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL14996182 0.85 MAPT (0.69) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL3504748 0.78 KMT2A (0.58) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL30133462 0.78 KMT2A (0.58) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11743606 0.78 KMT2A (0.58) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11746541 0.78 PDE4D (0.70) MAPTALDH1A1KMT2ANPC1LMNA
SCHEMBL13059438 0.76 KMT2A (0.68) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL22782402 0.75 MAPT (0.66) MAPTALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL22196923 0.74 KMT2A (0.66) MAPTALDH1A1SMN1; SMN2KMT2AMEN1

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-4013663-A BETA-RECEPTOR BLOCKING AGENTS KNOLL A.G. CHEMISCHE FABRIKEN (DT) 1977-03-22 US disclosed