SCHEMBL8664948

SCHEMBL8664948

CCOC(=O)COc1ccc(NC(=O)c2ccc(C3CCN(C(=O)OC(C)(C)C)CC3)cc2)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.48
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
NAMPT P43490 1/20 0.44
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
PIK3CA P42336 1/20 0.42
PRKDC P78527 1/20 0.42
CCR8 P51685 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL8663363 0.86 MAPT (0.51) TP53MAPTLMNAPOLBKMT2A
SCHEMBL8666469 0.84 MAPT (0.44) TP53MAPTGAALMNAPOLB
SCHEMBL8462423 0.80 MAPT (0.47) TP53MAPTLMNAKMT2AGPR119
SCHEMBL8468356 0.78 MAPT (0.40) TP53MAPTGAALMNAKMT2A
SCHEMBL8662409 0.77 MAPT (0.54) TP53MAPTNAMPTLMNAKMT2A
SCHEMBL8662814 0.76 BCL2 (0.50) MAPTGAALMNAPOLBKMT2A
SCHEMBL7351054 0.75 SMN1; SMN2 (0.50) MAPTGAALMNAPOLBKMT2A
SCHEMBL8040438 0.75 NAMPT (0.54) TP53MAPTGAANAMPTLMNA
SCHEMBL2359272 0.74 NAMPT (0.55) TP53MAPTNAMPTPOLBKMT2A
SCHEMBL8986417 0.74 NAMPT (0.65) MAPTNAMPTLMNAPOLBKMT2A

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