SCHEMBL8663363

SCHEMBL8663363

CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
LMNA P02545 4/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
CYP2C19 P33261 1/20 0.51
KIT P10721 1/20 0.49
FLT3 P36888 1/20 0.49
NPSR1 Q6W5P4 2/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.46
POLB P06746 1/20 0.44
ALDH1A1 P00352 5/20 0.44
USP2 O75604 1/20 0.43
HIF1A Q16665 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL8462423 0.93 MAPT (0.47) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8662409 0.90 MAPT (0.54) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8662814 0.89 BCL2 (0.50) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8664948 0.86 TP53 (0.48) MAPTSMN1; SMN2LMNAKMT2APOLB
SCHEMBL8660500 0.85 KIT (0.49) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7350120 0.84 MAPT (0.51) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL24670765 0.84 KMT2A (0.60) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL12814098 0.84 NPSR1 (0.55) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL8468356 0.84 MAPT (0.40) MAPTSMN1; SMN2LMNAKMT2AMEN1
SCHEMBL7413531 0.84 MAPT (0.53) MAPTSMN1; SMN2LMNAKMT2AMEN1

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