SCHEMBL7478886

SCHEMBL7478886

CC(=O)N1CCc2[nH]c(C(C)c3nc4ccc(C(=O)NC(CP(=O)(O)O)C(=O)O)cc4n3C)nc2C1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PLG P00747 10/20 0.33
NR1H4 Q96RI1 4/20 0.32
ACSS2 Q9NR19 2/20 0.32
PIN1 Q13526 1/20 0.31
HDAC6 Q9UBN7 2/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL7484578 0.93 PLG (0.33) PLGNR1H4ACSS2PIN1HDAC6
SCHEMBL7482383 0.93 PLG (0.33) PLGNR1H4ACSS2PIN1HDAC6
SCHEMBL7477974 0.91 PLG (0.32) PLGNR1H4ACSS2
SCHEMBL7477644 0.89 MAPK1 (0.38) PLGACSS2HDAC6HDAC1
SCHEMBL7122845 0.85 GRN (0.37) PLGNR1H4
SCHEMBL7073159 0.80 TP53 (0.36) PLGACSS2
SCHEMBL7074567 0.80 TAS1R3 (0.38) PLGNR1H4
SCHEMBL7489855 0.79 PIN1 (0.46) ACSS2PIN1
Hydrochloric Acid SCHEMBL7478353 0.79 PIN1 (0.45) ACSS2PIN1
SCHEMBL7482199 0.78 PIN1 (0.38) PLGACSS2PIN1

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
WO-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed