SCHEMBL13356144

SCHEMBL13356144

CCCn1cc(C(=O)OC)c(=O)c2cc(Cc3cccc(Cl)c3Cl)ccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.46
▸ MAPT P10636 4/20 0.43
▸ TP53 P04637 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ LMNA P02545 3/20 0.42
▸ CNR1 P21554 4/20 0.42
▸ BLM P54132 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NR4A2 P43354 1/20 0.39

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
SCHEMBL1043280 0.93 CNR2 (0.42) CNR2MAPTTP53POLBLMNA
SCHEMBL1043213 0.89 CNR2 (0.46) CNR2MAPTTP53POLBLMNA
SCHEMBL25725846 0.87 CNR1 (0.51) CNR2TP53CNR1TDP1HPGD
SCHEMBL25725902 0.85 CNR2 (0.43) CNR2MAPTTP53POLBLMNA
SCHEMBL3247125 0.85 CNR2 (0.41) CNR2MAPTTP53POLBLMNA
SCHEMBL1046134 0.84 CNR2 (0.50) CNR2CNR1ALDH1A1HPGD
SCHEMBL1042951 0.83 CNR1 (0.45) CNR2LMNACNR1ALDH1A1HPGD
SCHEMBL1042854 0.83 LMNA (0.46) CNR2MAPTTP53POLBLMNA
SCHEMBL1046205 0.81 KDM4E (0.54) MAPTTP53POLBLMNATDP1
SCHEMBL1041186 0.81 GAA (0.45) CNR2LMNAALDH1A1HPGD

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 disclosed
EP-1564210-B1 4-OXOQUINOLINE COMPOUNDS AND UTILIZATION THEREOF AS HIV INTEGRASE INHIBITORS JAPAN TOBACCO INC (JP) 2009-09-16 — — EP disclosed
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