SCHEMBL8833336

SCHEMBL8833336

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCCc3ccc(OCC(=O)O)c(OCC(=O)O)c3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.45
ITGA2B P08514 5/20 0.45
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 4/20 0.42
THRB P10828 1/20 0.42
P2RX3 P56373 1/20 0.42
KMT2A Q03164 1/20 0.41
PRMT5 O14744 2/20 0.40
WDR77 Q9BQA1 2/20 0.40
ACKR3 P25106 1/20 0.40
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL8558144 0.90 ITGB3 (0.45) ITGB3ITGA2BHDAC6P2RX3PRMT5
SCHEMBL8553064 0.86 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8554071 0.85 P2RX3 (0.43) P2RX3KMT2AMAPTSMN1; SMN2ESR2
SCHEMBL8560838 0.85 PRMT5 (0.46) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8554664 0.83 ITGB3 (0.56) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8832621 0.82 ITGB3 (0.62) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL8555276 0.81 MAPT (0.42) HDAC6POLBP2RX3PRMT5WDR77
SCHEMBL8832972 0.81 ITGB3 (0.47) ITGB3ITGA2BHDAC6P2RX3PRMT5
SCHEMBL8317945 0.80 ITGB3 (0.53) ITGB3ITGA2BHDAC6PRMT5WDR77
SCHEMBL7834582 0.80 ITGB3 (0.47) ITGB3ITGA2BHDAC6KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed