SCHEMBL6296

SCHEMBL6296

COc1ccc(CCN(C)c2c(C)noc2-c2ccc(-c3ccccc3CC(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 5/20 0.48
FFAR1 O14842 5/20 0.47
FFAR4 Q5NUL3 5/20 0.47
ALOX5 P09917 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
MMP12 P39900 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A9 P48067 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
MMP16 P51512 1/20 0.38
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6661 0.91 FFAR1 (0.41) LPAR1FFAR1FFAR4ALOX5HPGD
SCHEMBL12783 0.82 LPAR1 (0.36) LPAR1FFAR4PTGDR2PTGS1PTGS2
SCHEMBL7121 0.79 LPAR1 (0.35) LPAR1FFAR4PTGDR2HPGDPTGS1
SCHEMBL7026 0.78 AOC3 (0.37) FFAR4ALOX5SLC6A9NPC1L3MBTL1
SCHEMBL7666 0.78 ABCC3 (0.44) LPAR1ALOX5SLC6A9NPC1AOC3
SCHEMBL14822 0.77 LPAR1 (0.49) LPAR1FFAR1FFAR4PTGDR2MMP2
SCHEMBL4216332 0.74 MMP2 (0.62) LPAR1FFAR1FFAR4PTGDR2MMP2
SCHEMBL7396 0.73 CYP4F2 (0.35) HPGDL3MBTL1
SCHEMBL17260556 0.73 LPAR1 (0.47) LPAR1FFAR1FFAR4PTGDR2MMP2
SCHEMBL6613 0.73 FFAR4 (0.35) LPAR1FFAR4ALOX5SLC6A9NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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