SCHEMBL6916

SCHEMBL6916

C=CCCCN(C)c1c(C)noc1-c1ccc(-c2ccc(C3(CC(=O)O)CC3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
ABCC3 O15438 1/20 0.32
ABCC4 O15439 1/20 0.32
ABCB11 O95342 1/20 0.32
CYP2C8 P10632 1/20 0.32
CYP2C9 P11712 1/20 0.32
ABCB4 P21439 1/20 0.32
LPAR1 Q92633 1/20 0.32
ABCC2 Q92887 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
HSD11B1 P28845 1/20 0.32
POLB P06746 1/20 0.31
HSP90AA1 P07900 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6236 0.89 GAA (0.34) BRD4ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7534 0.88 L3MBTL1 (0.34) L3MBTL1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6705 0.87 LPAR1 (0.44) BRD4ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7501 0.83 ABCC3 (0.37) ABCC3ABCC4ABCB11CYP2C8CYP2C9
SCHEMBL6613 0.81 FFAR4 (0.35) LPAR1HSD11B1POLB
SCHEMBL6150 0.80 BRD4 (0.36) BRD4HSD11B1ALDH1A1
SCHEMBL7297 0.80 SCD5 (0.35) BRD4ABCC3ABCC4ABCB11CYP2C8
SCHEMBL7294 0.80 P2RX7 (0.36) L3MBTL1LPAR1HSD11B1POLB
SCHEMBL7026 0.79 AOC3 (0.37) L3MBTL1HSD11B1POLB
SCHEMBL14626 0.77 LPAR1 (0.43) BRD4L3MBTL1ABCC3ABCC4ABCB11

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-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-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