SCHEMBL3246985

SCHEMBL3246985

CCN(CC)c1ccccc1Cc1ccc2c(c1)c(=O)c(OC(=O)O)cn2CCO

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 6/20 0.36
RXFP1 Q9HBX9 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CNR2 P34972 3/20 0.34
EGLN1 Q9GZT9 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
POLB P06746 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL3237627 0.92 TP53 (0.37) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3243303 0.91 TP53 (0.38) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3245273 0.89 MAPT (0.41) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3235211 0.89 TP53 (0.36) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3239841 0.88 TP53 (0.37) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL1043877 0.88 KDM4E (0.43) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3246977 0.88 TP53 (0.36) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3241776 0.88 ALDH1A1 (0.36) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3242661 0.87 TP53 (0.36) TP53LMNAMAPTRXFP1ALDH1A1
SCHEMBL3241708 0.85 TP53 (0.42) TP53LMNAMAPTRXFP1ALDH1A1

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
EP-1564210-B9 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2010-03-31 EP claimed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 EP claimed