SCHEMBL6857

SCHEMBL6857

Cc1noc(-c2ccc(-c3ccc(CC(=O)O)cc3)cc2)c1N(C)CCCc1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
AOC3 Q16853 1/20 0.40
FFAR1 O14842 2/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
PPARD Q03181 3/20 0.38
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
TP53 P04637 1/20 0.37
TAAR1 Q96RJ0 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PPARG P37231 1/20 0.36
NR1H2 P55055 1/20 0.36
PPARA Q07869 1/20 0.36
NR1H3 Q13133 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
BRD4 O60885 2/20 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
SCHEMBL6610 0.92 FFAR1 (0.43) AOC3FFAR1PPARDTP53NR1H4
SCHEMBL7216 0.89 MAOB (0.41) LPAR1LPAR2LPAR3AOC3MEN1
SCHEMBL7466 0.89 LPAR1 (0.47) LPAR1LPAR2LPAR3PPARDLTB4R
SCHEMBL6811 0.86 HDAC1 (0.42) LPAR1LPAR2LPAR3PPARDPPARG
SCHEMBL6150 0.85 BRD4 (0.36) AOC3TP53TAAR1BRD4ALDH1A1
SCHEMBL1630 0.85 ABCC3 (0.42) LPAR1AOC3TP53TAAR1NR1H4
SCHEMBL1568 0.81 KCNA3 (0.39) LPAR1AOC3ALDH1A1
SCHEMBL6765 0.79 BRD4 (0.33) AOC3BRD4MEN1ALDH1A1HPGD
SCHEMBL8174 0.79 MAOB (0.41) LPAR1LTB4R2TAAR1BRD4
SCHEMBL6934 0.79 FFAR4 (0.46) FFAR1PPARDPPARGPPARAALDH1A1

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-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP 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