SCHEMBL3709529

SCHEMBL3709529

Cc1noc(-c2ccc(-c3ccccc3CC(=O)O)cc2)c1NC(=O)OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.54
LPAR3 Q9UBY5 3/20 0.50
LPAR2 Q9HBW0 2/20 0.50
ENPP2 Q13822 1/20 0.44
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
ABCB11 O95342 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2C9 P11712 1/20 0.41
ABCB4 P21439 1/20 0.41
ABCC2 Q92887 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
ROCK2 O75116 1/20 0.40
MGLL Q99685 1/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 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
SCHEMBL2342594 0.91 LPAR1 (0.55) LPAR1LPAR3LPAR2ENPP2ABCC3
SCHEMBL1286658 0.88 LPAR1 (0.68) LPAR1LPAR3LPAR2ENPP2ABCC3
SCHEMBL1247342 0.85 SCN9A (0.46) ENPP2MAPTROCK2MGLLMEN1
SCHEMBL3714449 0.85 LPAR1 (0.58) LPAR1LPAR3LPAR2ENPP2ABCC3
SCHEMBL7708 0.84 LPAR1 (0.54) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2341435 0.83 LPAR1 (0.53) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL2337677 0.83 LPAR1 (0.64) LPAR1LPAR3LPAR2ENPP2ABCC3
SCHEMBL3711039 0.83 LPAR1 (0.49) LPAR1LPAR3LPAR2ENPP2KDM4E
SCHEMBL2225512 0.83 LPAR1 (0.58) LPAR1LPAR3LPAR2ENPP2ABCC3
SCHEMBL2338268 0.82 LPAR1 (0.68) LPAR1LPAR3LPAR2ENPP2ABCC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed