SCHEMBL8464641

SCHEMBL8464641

N=C(N)NCCC[C@H](NC(=O)OCCCCCn1cnc2cncnc21)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.35
FDPS P14324 1/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
ITGB3 P05106 6/20 0.32
ITGA2B P08514 5/20 0.32
ITGAV P06756 1/20 0.31
DNMT3B Q9UBC3 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
C3AR1 Q16581 1/20 0.31
TGM2 P21980 4/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ADRA1A P35348 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
EP300 Q09472 1/20 0.30

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
SCHEMBL8464663 1.00 LTA4H (0.35) LTA4HFDPSHDAC1HDAC6ITGB3
SCHEMBL8466911 0.85 ADCY5 (0.37) HDAC1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL8465859 0.85 ADCY5 (0.47) ALDH1A1EP300
SCHEMBL8466600 0.85 ADCY5 (0.47) ALDH1A1EP300
SCHEMBL8467714 0.84 ADCY5 (0.36) HDAC1ITGB3ITGA2BITGAVALDH1A1
SCHEMBL8466905 0.84 ADCY5 (0.36) FDPSHDAC6ITGB3ITGA2B
SCHEMBL8467662 0.84 ADCY5 (0.36) HDAC1ITGB3ITGA2BALDH1A1
SCHEMBL8465925 0.84 ADCY5 (0.36) HDAC1ITGB3ITGA2BALDH1A1
SCHEMBL8464251 0.84 ADCY5 (0.36) FDPSHDAC6ITGB3ITGA2B
SCHEMBL8467074 0.84 P2RY1 (0.43) HDAC1

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-5994361-A ANTITUMOR, ANTICANCER AGENT BIOCHEM PHARMA (CA) 1999-11-30 US claimed