SCHEMBL8823910

SCHEMBL8823910

CCCCC(=O)COc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.56
PLA2G4B P0C869 12/20 0.55
PLA2G4A P47712 1/20 0.51
TSHR P16473 1/20 0.51
RECQL P46063 1/20 0.51

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
SCHEMBL6247942 0.94 PLA2G4B (0.57) LTA4HPLA2G4BPLA2G4ATSHRRECQL
SCHEMBL1743419 0.89 PLA2G4B (0.57) PLA2G4BPLA2G4ATSHRRECQL
SCHEMBL8707397 0.87 PLA2G4B (0.59) PLA2G4BPLA2G4A
SCHEMBL9650471 0.87 PLA2G4B (0.59) PLA2G4BPLA2G4A
SCHEMBL12655267 0.83 SMN1; SMN2 (0.63) LTA4HSMN1; SMN2PLA2G4B
SCHEMBL13545912 0.77 LTA4H (1.00) LTA4HSMN1; SMN2
SCHEMBL12250691 0.77 KMT2A (0.61) SMN1; SMN2PLA2G4B
SCHEMBL13472198 0.77 KMT2A (0.57) SMN1; SMN2PLA2G4B
Pentane SCHEMBL8673099 0.76 ALOX15 (0.77) LTA4HSMN1; SMN2PLA2G4BTSHRRECQL
SCHEMBL8225239 0.76 SMN1; SMN2 (0.67) LTA4HSMN1; SMN2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997049668-A1 INHIBITIORS OF CYSTEINE PROTEASE SMITHKLINE BEECHAM CORPORATION (US) 1997-12-31 WO claimed