SCHEMBL9151920

SCHEMBL9151920

CCCC(=O)OCC(C)C(C)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PRKCA P17252 3/20 0.40
LPAR6 P43657 1/20 0.39
LPAR1 Q92633 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
ENPP2 Q13822 1/20 0.39
PRKCE Q02156 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
SCHEMBL9150521 1.00 MAPT (0.52) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9150849 0.88 MAPT (0.62) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9153115 0.86 MAPT (0.71) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL2717075 0.85 MAPT (0.48) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9151927 0.85 MAPT (0.74) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9152072 0.85 MAPT (0.74) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9149108 0.85 MAPT (0.74) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9150524 0.85 MAPT (0.74) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9149118 0.85 MAPT (0.74) MAPTALDH1A1LMNAKDM4EDUSP3
SCHEMBL9609163 0.83 MAPT (0.52) MAPTALDH1A1LMNAKDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1429801-A Spice and local flavour material DELLAGOKOGOEBODIN AG (DE) 2003-07-16 CN disclosed
EP-0351782-B1 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI LTD (JP) 1995-01-04 EP disclosed
US-5328643-A Electrooptic display, switches, modulators; physical and chemical stability and spontaneous polarization TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
EP-0351782-A2 Optically active compounds liquid crystal composition containing said compound, and liquid crystal optical modulator using said composition HITACHI, LTD. (JP) 1990-01-24 EP disclosed