SCHEMBL3243264

SCHEMBL3243264

O=C(O)CCn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 3/20 0.40
MCL1 Q07820 6/20 0.39
PLA2G4A P47712 3/20 0.37
LMNA P02545 2/20 0.36
CNR2 P34972 1/20 0.36
TBXAS1 P24557 1/20 0.36
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3239881 0.93 SLC22A12 (0.37) SLC22A12MCL1LMNACNR2ALDH1A1
SCHEMBL3247016 0.93 SLC22A12 (0.38) SLC22A12LMNACNR2ALDH1A1
SCHEMBL3241585 0.91 SLC22A12 (0.39) SLC22A12PLA2G4ALMNACNR2ALDH1A1
SCHEMBL3239637 0.91 SLC22A12 (0.39) SLC22A12LMNACNR2ALDH1A1
SCHEMBL3247125 0.91 CNR2 (0.41) SLC22A12LMNACNR2ALDH1A1
SCHEMBL3246470 0.90 SLC22A12 (0.41) SLC22A12MCL1LMNAALDH1A1
SCHEMBL3240020 0.90 CNR2 (0.38) SLC22A12MCL1LMNACNR2ALDH1A1
SCHEMBL3241672 0.90 PLA2G4A (0.38) SLC22A12PLA2G4ALMNACNR2ALDH1A1
SCHEMBL3245321 0.89 CNR2 (0.45) SLC22A12LMNACNR2
SCHEMBL3247047 0.89 CNR1 (0.39) SLC22A12LMNACNR2ALDH1A1

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