SCHEMBL8834964

SCHEMBL8834964

CCCCC(O)COc1ccc(C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 7/20 0.74
TP53 P04637 1/20 0.60
TSHR P16473 1/20 0.60
RARB P10826 5/20 0.56
LMNA P02545 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PLA2G4A P47712 1/20 0.54
MAPK1 P28482 1/20 0.53
ABCB1 P08183 1/20 0.50

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
SCHEMBL28531864 0.92 PLA2G4B (0.64) PLA2G4BTP53TSHRRARBLMNA
SCHEMBL8082282 0.85 PLA2G4B (0.62) PLA2G4BTP53TSHRRARBPLA2G4A
SCHEMBL8414525 0.84 PLA2G4B (0.68) PLA2G4BTP53TSHRLMNAPOLB
SCHEMBL9574328 0.84 PLA2G4B (0.60) PLA2G4BTP53TSHRRARBPLA2G4A
SCHEMBL5471637 0.84 PLA2G4B (0.60) PLA2G4BTP53TSHRRARBLMNA
SCHEMBL9741323 0.84 PLA2G4B (0.71) PLA2G4BTP53TSHRLMNAPOLB
SCHEMBL11203428 0.83 ABCB1 (0.64) PLA2G4BLMNAPOLBMAPTNPSR1
SCHEMBL4799846 0.82 TP53 (0.80) PLA2G4BTP53TSHRRARBPLA2G4A
SCHEMBL6071806 0.82 MAPT (0.69) PLA2G4BTP53TSHRLMNAPOLB
SCHEMBL10975809 0.82 PLA2G4B (0.59) PLA2G4BTP53TSHRRARBPLA2G4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0783537-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1997-07-16 EP disclosed
WO-1996010049-A1 CUMARIN AND QUINOLINONE DERIVATIVES FOR PREPARING LIQUID CRYSTAL ORIENTATION LAYERS F. HOFFMANN-LA ROCHE AG (CH) 1996-04-04 WO disclosed
US-4158011-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1979-06-12 US disclosed