SCHEMBL8666469

SCHEMBL8666469

CCOC(=O)COc1ccc(NC(=O)N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
GPR119 Q8TDV5 4/20 0.44
PIK3CA P42336 2/20 0.43
PRKDC P78527 2/20 0.43
MTOR P42345 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
ABL1 P00519 1/20 0.42
POLB P06746 1/20 0.42
RIN1 Q13671 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
PTPN2 P17706 1/20 0.41

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
SCHEMBL8523243 0.90 GPR119 (0.47) MAPTTP53GAAKMT2AMEN1
SCHEMBL8664948 0.84 TP53 (0.48) MAPTTP53GAAKMT2ALMNA
SCHEMBL8666467 0.82 SMN1; SMN2 (0.45) MAPTTP53GAAKMT2AMEN1
SCHEMBL8663363 0.80 MAPT (0.51) MAPTTP53KMT2AMEN1LMNA
SCHEMBL7351054 0.78 SMN1; SMN2 (0.50) MAPTGAAKMT2AMEN1LMNA
SCHEMBL8468356 0.78 MAPT (0.40) MAPTTP53GAAKMT2AMEN1
SCHEMBL6192490 0.76 GPR119 (0.62) MAPTLMNAGPR119
SCHEMBL8325925 0.75 THRB (0.44) MAPTGAAKMT2APTPN2PTPN1
SCHEMBL13334570 0.74 ESR2 (0.50) MAPTGAAKMT2AMEN1LMNA
SCHEMBL15824735 0.74 GPR119 (0.58) MAPTTP53GAAKMT2AMEN1

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-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed