SCHEMBL8835697

SCHEMBL8835697

CC(C)(C)OC(=O)N1CCc2sc(C(=O)NCC(=O)C(Oc3ccccc3OCc3ccccc3)C(=O)O)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 13/20 0.43
WDR77 Q9BQA1 13/20 0.43
HDAC6 Q9UBN7 1/20 0.40
GCK P35557 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
YAP1 P46937 1/20 0.38
ACKR3 P25106 1/20 0.38
P2RX3 P56373 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL8832753 0.83 PRMT5 (0.46) PRMT5WDR77HDAC6GCKACKR3
SCHEMBL8554664 0.82 ITGB3 (0.56) PRMT5WDR77HDAC6GCK
SCHEMBL8833222 0.77 PRMT5 (0.44) PRMT5WDR77HDAC6GCK
Trifluoroacetic Acid SCHEMBL8836102 0.76 ITGB3 (0.51)
SCHEMBL8555631 0.76 PRMT5 (0.43) PRMT5WDR77HDAC6ACKR3ESR2
SCHEMBL8835923 0.76 PRMT5 (0.50) PRMT5WDR77HDAC6ACKR3ESR2
SCHEMBL8553064 0.75 ITGB3 (0.62) PRMT5WDR77HDAC6
SCHEMBL8833336 0.74 ITGB3 (0.45) PRMT5WDR77HDAC6KMT2AACKR3
SCHEMBL8560838 0.74 PRMT5 (0.46) PRMT5WDR77HDAC6
SCHEMBL8455279 0.73 ITGB3 (0.60) PRMT5WDR77HDAC6ESR2

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-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed