SCHEMBL8662409

SCHEMBL8662409

Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
CYP2C19 P33261 1/20 0.53
KIT P10721 1/20 0.52
FLT3 P36888 1/20 0.52
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TSHR P16473 1/20 0.48
F10 P00742 1/20 0.45
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
NAMPT P43490 1/20 0.43
PTGDR Q13258 1/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43

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 0.90 MAPT (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7350120 0.87 MAPT (0.51) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL24670765 0.86 KMT2A (0.60) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7413531 0.86 MAPT (0.53) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8661753 0.86 MAPT (0.59) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8664298 0.86 MAPT (0.59) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8462423 0.85 MAPT (0.47) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8340167 0.85 MAPT (0.49) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8321803 0.83 HDAC8 (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8321062 0.83 KIT (0.48) MAPTKMT2AKITF10ITGB3

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