SCHEMBL2337987

SCHEMBL2337987

CCOC(=O)N(c1ccc(F)cc1F)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 1/20 0.39
LPAR3 Q9UBY5 1/20 0.39
DGAT1 O75907 2/20 0.35
SOAT1 P35610 1/20 0.35
RXRA P19793 3/20 0.35
RXRB P28702 3/20 0.35
RXRG P48443 3/20 0.35
PDE4B Q07343 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
PTGER4 P35408 1/20 0.33
P2RX7 Q99572 1/20 0.33
SSTR5 P35346 1/20 0.33
SLC26A6 Q9BXS9 1/20 0.33
BACE1 P56817 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL2341313 0.93 LPAR1 (0.40) LPAR1LPAR2LPAR3DGAT1SOAT1
SCHEMBL3705976 0.93 ALDH1A1 (0.35) LPAR1LPAR2LPAR3USP2POLB
SCHEMBL2337495 0.91 LPAR1 (0.40) LPAR1LPAR2LPAR3DGAT1SOAT1
SCHEMBL2343129 0.90 LPAR1 (0.39) LPAR1LPAR2LPAR3RXRARXRB
SCHEMBL2335539 0.89 LPAR1 (0.45) LPAR1LPAR2LPAR3DGAT1SOAT1
SCHEMBL2341053 0.86 LPAR1 (0.42) LPAR1LPAR2LPAR3DGAT1SOAT1
SCHEMBL3712524 0.85 LPAR1 (0.42) LPAR1LPAR2LPAR3DGAT1SOAT1
SCHEMBL3702504 0.85 ALDH1A1 (0.37) LPAR1LPAR2LPAR3POLBSLC26A6
SCHEMBL1245262 0.85 THRB (0.37) DGAT1SOAT1RXRARXRBRXRG
SCHEMBL2336970 0.85 LPAR1 (0.44) LPAR1LPAR2LPAR3DGAT1SOAT1

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
EP-2358688-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS Amira Pharmaceuticals, Inc. (US) 2011-08-24 EP disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed