SCHEMBL3245291

SCHEMBL3245291

CC(C)Cn1cc(OC(=O)O)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.40
LMNA P02545 3/20 0.38
METTL3 Q86U44 1/20 0.38
ICMT O60725 7/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 3/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 1/20 0.34

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
SCHEMBL3239173 0.94 SLC22A12 (0.39) SLC22A12LMNAMETTL3ICMTALDH1A1
SCHEMBL3245381 0.90 ALDH1A1 (0.41) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3243246 0.90 LMNA (0.36) SLC22A12LMNAMETTL3ALDH1A1TP53
SCHEMBL3246682 0.90 SLC22A12 (0.38) SLC22A12LMNAMETTL3ALDH1A1TP53
SCHEMBL3241599 0.89 SLC22A12 (0.40) SLC22A12LMNAMETTL3ALDH1A1TP53
SCHEMBL3247125 0.89 CNR2 (0.41) SLC22A12LMNAMETTL3ALDH1A1TP53
SCHEMBL3241859 0.89 SLC22A12 (0.40) SLC22A12LMNAMETTL3ALDH1A1TP53
SCHEMBL3239774 0.89 LMNA (0.46) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3246470 0.89 SLC22A12 (0.41) SLC22A12LMNAALDH1A1TP53MAPT
SCHEMBL3239637 0.88 SLC22A12 (0.39) SLC22A12LMNAMETTL3ALDH1A1TP53

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