SCHEMBL2101

SCHEMBL2101

Cc1noc(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)c1CC(O)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.51
ABCC3 O15438 1/20 0.51
ABCC4 O15439 1/20 0.51
ABCB11 O95342 1/20 0.51
CYP2C8 P10632 1/20 0.51
CYP2C9 P11712 1/20 0.51
ABCB4 P21439 1/20 0.51
ABCC2 Q92887 1/20 0.51
SLCO1B3 Q9NPD5 1/20 0.51
SLCO1B1 Q9Y6L6 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TAS2R8 Q9NYW2 3/20 0.37
HRH1 P35367 1/20 0.37
NR1H4 Q96RI1 1/20 0.36
GAA P10253 1/20 0.36
LPAR3 Q9UBY5 2/20 0.35
STAT3 P40763 2/20 0.34
AKR1C3 P42330 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL1893 0.91 ABCC3 (0.45) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1968 0.87 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6512 0.85 MEN1 (0.54) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6703 0.84 LPAR1 (0.52) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1701 0.84 LPAR1 (0.50) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1869 0.83 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2265 0.83 LPAR1 (0.49) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1729 0.83 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2060 0.83 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL2209 0.83 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8

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 6 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-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed