SCHEMBL6549

SCHEMBL6549

Cc1noc(-c2ccc(-c3ccccc3CCC(=O)O)cc2)c1CCCC(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 6/20 0.45
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER1 P34995 3/20 0.41
PTGER2 P43116 3/20 0.41
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 1/20 0.40
FFAR1 O14842 4/20 0.38
LPAR1 Q92633 3/20 0.37
RXRA P19793 3/20 0.37
RXRB P28702 3/20 0.37
RXRG P48443 1/20 0.37
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36

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
SCHEMBL7563 0.91 FFAR4 (0.39) FFAR4S1PR1S1PR3LPAR1ALDH1A1
SCHEMBL6889 0.87 FFAR1 (0.46) FFAR4S1PR1S1PR3FFAR1LPAR1
SCHEMBL6548 0.83 PTGER4 (0.47) FFAR4PTGER4PTGER3PTGER1PTGER2
SCHEMBL6801 0.83 SMN1; SMN2 (0.46) FFAR4S1PR1S1PR3FFAR1LPAR1
SCHEMBL7242 0.82 LIPG (0.44) FFAR4S1PR1S1PR3FFAR1LPAR1
SCHEMBL7481 0.81 LPAR1 (0.55) FFAR4S1PR1S1PR3LPAR1ALDH1A1
SCHEMBL7540 0.80 LPAR1 (0.43) S1PR1S1PR3LPAR1ALDH1A1L3MBTL1
SCHEMBL7250 0.78 PPARG (0.46) S1PR1S1PR3LPAR1ALDH1A1L3MBTL1
SCHEMBL6581 0.77 CHRM1 (0.40) FFAR4S1PR1S1PR3LPAR1ALDH1A1
SCHEMBL6861 0.77 LPAR1 (0.42) FFAR4S1PR1S1PR3LPAR1ALDH1A1

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