SCHEMBL7483

SCHEMBL7483

Cc1noc(-c2ccc(-c3ccc(C4(CC(=O)O)CC4)cc3)cc2)c1CC(O)OCc1cccc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.37
TACR1 P25103 1/20 0.35
FFAR4 Q5NUL3 3/20 0.35
PTGER4 P35408 2/20 0.34
SLC26A3 P40879 5/20 0.34
ADAMTS4 O75173 1/20 0.34
MMP13 P45452 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR1 O14842 1/20 0.33
TAS2R8 Q9NYW2 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6424 0.92 MEN1 (0.37) ANO1TACR1PTGER4MEN1KMT2A
SCHEMBL2012 0.89 LPAR1 (0.43) ANO1PTGER4ADAMTS4MMP13ADAMTS5
SCHEMBL6806 0.86 LPAR1 (0.42) ANO1FFAR4SLC26A3FFAR1
SCHEMBL2232 0.85 LMNA (0.39) ANO1PTGER4ADAMTS4MMP13ADAMTS5
SCHEMBL6615 0.85 FFAR1 (0.50) ANO1FFAR4FFAR1
SCHEMBL7482 0.83 TACR1 (0.39) ANO1TACR1FFAR4ADAMTS4MMP13
SCHEMBL6660 0.81 SYK (0.41) ANO1MEN1KMT2AL3MBTL1POLB
SCHEMBL17265477 0.80 TACR1 (0.38) ANO1TACR1FFAR4ADAMTS4MMP13
SCHEMBL6869 0.80 SYK (0.41) ANO1FFAR4MEN1KMT2AFFAR1
SCHEMBL14790 0.78 LPAR1 (0.39) PTGER4NPC1MAPT

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