SCHEMBL6660

SCHEMBL6660

CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3CC(O)OCc3cccc(C(F)(F)F)c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
THRB P10828 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
DHFR P00374 2/20 0.36
HTT P42858 3/20 0.36
ALOX15 P16050 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.35
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35

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
SCHEMBL6869 0.92 SYK (0.41) SYKMEN1KMT2AALDH1A1THRB
SCHEMBL6806 0.91 LPAR1 (0.42) ANO1
SCHEMBL6424 0.87 MEN1 (0.37) MEN1KMT2AALDH1A1THRBANO1
SCHEMBL6871 0.86 EPHX1 (0.40) SYKMEN1KMT2AALDH1A1THRB
SCHEMBL6615 0.86 FFAR1 (0.50) THRBANO1
SCHEMBL2232 0.85 LMNA (0.39) MEN1KMT2ATHRBANO1L3MBTL1
SCHEMBL2012 0.82 LPAR1 (0.43) ANO1
SCHEMBL6659 0.82 MEN1 (0.40) SYKMEN1KMT2AALDH1A1THRB
SCHEMBL7483 0.81 ANO1 (0.37) MEN1KMT2AANO1L3MBTL1POLB
SCHEMBL17265470 0.79 SYK (0.38) SYKMEN1KMT2AALDH1A1THRB

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