SCHEMBL6811

SCHEMBL6811

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
PPARG P37231 4/20 0.41
PPARD Q03181 4/20 0.41
PPARA Q07869 4/20 0.41
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
RXRA P19793 7/20 0.41
RXRB P28702 7/20 0.41
RXRG P48443 7/20 0.41
LPAR1 Q92633 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
MAPT P10636 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37

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
SCHEMBL6934 0.92 FFAR4 (0.46) HDAC1HDAC8PPARGPPARDPPARA
SCHEMBL6630 0.90 HDAC1 (0.40) HDAC1HDAC8PPARGPPARDPPARA
SCHEMBL7466 0.88 LPAR1 (0.47) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6857 0.86 LPAR1 (0.42) PPARGPPARDPPARANR1H2NR1H3
SCHEMBL6878 0.86 PTGES (0.37) HDAC1HDAC8HDAC6MAPT
SCHEMBL6082 0.86 HDAC1 (0.34) HDAC1HDAC8PPARGPPARDPPARA
SCHEMBL6543 0.86 HDAC1 (0.40) HDAC1HDAC8HDAC6FFAR4MAPT
SCHEMBL1403 0.86 LPAR1 (0.41) HDAC1HDAC8LPAR1HDAC6MAPT
SCHEMBL7176 0.82 HDAC1 (0.37) HDAC1HDAC8PPARGPPARDPPARA
SCHEMBL1859 0.82 KCNA3 (0.37) HDAC1HDAC8LPAR1HDAC6MAPT

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