SCHEMBL8468356

SCHEMBL8468356

CCOC(=O)COc1ccc(NC(=O)c2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)s2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TP53 P04637 3/20 0.40
GAA P10253 1/20 0.40
HDAC8 Q9BY41 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
BRAF P15056 1/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 2/20 0.36
GPR119 Q8TDV5 1/20 0.36
BACE1 P56817 1/20 0.36
THRB P10828 1/20 0.36

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
SCHEMBL8321803 0.91 HDAC8 (0.41) MAPTTP53GAAHDAC8KMT2A
SCHEMBL8663363 0.84 MAPT (0.51) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL8462423 0.78 MAPT (0.47) MAPTTP53ALDH1A1KMT2ASMN1; SMN2
SCHEMBL8666469 0.78 MAPT (0.44) MAPTTP53GAAHDAC8ALDH1A1
SCHEMBL8664948 0.78 TP53 (0.48) MAPTTP53GAAALDH1A1KMT2A
SCHEMBL29943980 0.75 ADORA1 (0.45) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL8662409 0.74 MAPT (0.54) MAPTTP53ALDH1A1KDM4EKMT2A
SCHEMBL12814098 0.74 NPSR1 (0.55) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL7351054 0.74 SMN1; SMN2 (0.50) MAPTGAAHDAC8ALDH1A1KDM4E
SCHEMBL8259577 0.74 TSHR (0.52) MAPTGAAL3MBTL1ALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0912175-A4 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO INC (US) 1999-09-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed