SCHEMBL9779552

SCHEMBL9779552

CC[C@H](C)COc1ccc2cc(C(=O)O)ccc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.54
FFAR1 O14842 1/20 0.50
PLA2G4B P0C869 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45

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
SCHEMBL8086815 1.00 KDM4E (0.55) KDM4EMAPTFFAR1PLA2G4BAKR1C3
SCHEMBL8080346 0.89 KDM4E (0.53) KDM4EPLA2G4BGRIN2DGRIN2AGRIN2B
SCHEMBL8086481 0.86 PLA2G4B (0.52) KDM4EPLA2G4BGRIN2DGRIN2AGRIN2B
SCHEMBL7696449 0.86 MAPT (0.66) MAPTFFAR1PLA2G4BNR1H4
SCHEMBL7696448 0.86 MAPT (0.66) MAPTFFAR1PLA2G4BNR1H4
SCHEMBL8084886 0.86 MAPK1 (0.56) KDM4EPLA2G4BGRIN2DGRIN2AGRIN2B
SCHEMBL8072669 0.85 PLA2G4B (0.54) KDM4EPLA2G4B
SCHEMBL9779250 0.85 RARB (0.52) KDM4EPLA2G4BGRIN2DGRIN2AGRIN2B
SCHEMBL8080261 0.85 RARB (0.52) KDM4EPLA2G4BGRIN2DGRIN2AGRIN2B
SCHEMBL8081907 0.84 KDM4E (0.57) KDM4EPLA2G4BAKR1C3AKR1C2GRIN2D

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
US-5072021-A Liquid crystals MITSUI TOATSU CHEMICALS, INC. (JP) 1991-12-10 US disclosed