SCHEMBL2012

SCHEMBL2012

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.43
ABCC3 O15438 1/20 0.43
ABCC4 O15439 1/20 0.43
ABCB11 O95342 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2C9 P11712 1/20 0.43
ABCB4 P21439 1/20 0.43
ABCC2 Q92887 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
LPAR3 Q9UBY5 5/20 0.42
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
ANO1 Q5XXA6 1/20 0.38
NR1H4 Q96RI1 4/20 0.37
PTGER4 P35408 2/20 0.35
APP P05067 1/20 0.35
ADAMTS4 O75173 1/20 0.35
MMP13 P45452 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL2232 0.92 LMNA (0.39) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7483 0.89 ANO1 (0.37) ANO1PTGER4ADAMTS4MMP13ADAMTS5
SCHEMBL2060 0.88 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL1729 0.88 LPAR1 (0.51) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6806 0.86 LPAR1 (0.42) LPAR1LPAR3ANO1NR1H4
SCHEMBL2285 0.86 LPAR1 (0.41) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6424 0.86 MEN1 (0.37) ANO1PTGER4
SCHEMBL6615 0.85 FFAR1 (0.50) ANO1
SCHEMBL2011 0.83 LPAR1 (0.44) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6660 0.82 SYK (0.41) ANO1

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-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-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed