SCHEMBL3241708

SCHEMBL3241708

CCOc1ccccc1Cc1ccc2c(c1)c(=O)c(OC(=O)O)cn2CCO

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.42
RXFP1 Q9HBX9 1/20 0.42
MAPT P10636 7/20 0.42
THRB P10828 1/20 0.40
LMNA P02545 4/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.37
ICMT O60725 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL3245273 0.90 MAPT (0.41) TP53RXFP1MAPTLMNAALDH1A1
SCHEMBL1046189 0.90 TP53 (0.47) TP53RXFP1MAPTTHRBLMNA
SCHEMBL3234992 0.86 LMNA (0.38) TP53RXFP1MAPTTHRBLMNA
SCHEMBL3242589 0.86 NTRK1 (0.43) TP53RXFP1MAPTLMNAALDH1A1
SCHEMBL3246615 0.86 MAPT (0.40) TP53RXFP1MAPTTHRBLMNA
SCHEMBL3232426 0.85 LMNA (0.38) TP53RXFP1MAPTLMNAALDH1A1
SCHEMBL3242293 0.85 LMNA (0.38) TP53RXFP1MAPTLMNAALDH1A1
SCHEMBL3245011 0.85 LMNA (0.40) TP53MAPTLMNAALDH1A1KDM4E
SCHEMBL3246491 0.85 TSHR (0.40) TP53MAPTLMNAALDH1A1KDM4E
SCHEMBL3246985 0.85 TP53 (0.37) TP53RXFP1MAPTLMNAALDH1A1

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