SCHEMBL8748439

SCHEMBL8748439

C=CCCCOCCCCO

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.41
LPAR2 Q9HBW0 1/20 0.41
GAA P10253 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC2A1 P11166 1/20 0.34
ESR1 P03372 1/20 0.33
LMNA P02545 1/20 0.32
ABCC4 O15439 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL11221778 0.98 LPAR3 (0.44) LPAR3LPAR2GAACYP4F2CYP4A11
SCHEMBL31208499 0.98 MEN1 (0.40) LPAR3LPAR2GAACYP4F2CYP4A11
SCHEMBL7261008 0.95 LPAR3 (0.45) LPAR3LPAR2GAACYP4F2CYP4A11
SCHEMBL18033890 0.93 LPAR3 (0.48) LPAR3LPAR2GAACYP4F2CYP4A11
SCHEMBL7358305 0.91 GAA (0.38) LPAR3LPAR2GAACYP4F2CYP4A11
SCHEMBL8898421 0.91 LPAR3 (0.45) LPAR3LPAR2GAAMEN1KMT2A
SCHEMBL8899171 0.88 LPAR3 (0.48) LPAR3LPAR2GAAMEN1KMT2A
SCHEMBL2244975 0.88 LPAR3 (0.48) LPAR3LPAR2GAAMEN1KMT2A
SCHEMBL11330924 0.88
SCHEMBL6525668 0.86 MEN1 (0.52) LPAR3LPAR2MEN1KMT2AMAPT

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
EP-0754685-A2 Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings Rolic AG (CH) 1997-01-22 EP disclosed