SCHEMBL6869

SCHEMBL6869

CCOC(=O)CCc1ccc(-c2ccc(-c3onc(C)c3CC(O)OCc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SYK P43405 5/20 0.41
FFAR4 Q5NUL3 2/20 0.40
FFAR1 O14842 2/20 0.40
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
THRB P10828 2/20 0.36
ANO1 Q5XXA6 1/20 0.36
MAPT P10636 2/20 0.35
THRA P10827 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MMP1 P03956 1/20 0.34
MMP12 P39900 1/20 0.34

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
SCHEMBL6660 0.92 SYK (0.41) SYKKMT2AMEN1THRBANO1
SCHEMBL6615 0.91 FFAR1 (0.50) FFAR4FFAR1THRBANO1THRA
SCHEMBL7428 0.87 EPHX1 (0.40) SYKFFAR4FFAR1KMT2AMEN1
SCHEMBL6806 0.86 LPAR1 (0.42) FFAR4FFAR1ANO1
SCHEMBL6424 0.86 MEN1 (0.37) KMT2AMEN1THRBANO1MAPT
SCHEMBL2232 0.84 LMNA (0.39) KMT2AMEN1THRBANO1TDP1
SCHEMBL6868 0.82 FFAR1 (0.40) SYKFFAR4FFAR1KMT2AMEN1
SCHEMBL18597914 0.82 THRB (0.39) SYKFFAR4FFAR1KMT2AMEN1
SCHEMBL2012 0.81 LPAR1 (0.43) ANO1
SCHEMBL7483 0.80 ANO1 (0.37) FFAR4FFAR1KMT2AMEN1ANO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed