SCHEMBL6934

SCHEMBL6934

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.46
FFAR1 O14842 10/20 0.45
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PPARG P37231 2/20 0.39
PPARD Q03181 2/20 0.39
PPARA Q07869 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SLC13A5 Q86YT5 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL6811 0.92 HDAC1 (0.42) FFAR4HDAC1HDAC8PPARGPPARD
SCHEMBL6543 0.90 HDAC1 (0.40) FFAR4FFAR1HDAC1HDAC8THRB
SCHEMBL6610 0.87 FFAR1 (0.43) FFAR4FFAR1PPARGPPARDRXRA
SCHEMBL6630 0.86 HDAC1 (0.40) HDAC1HDAC8THRBPPARGPPARD
SCHEMBL6878 0.86 PTGES (0.37) FFAR1HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL6082 0.85 HDAC1 (0.34) FFAR4HDAC1HDAC8PPARGPPARD
SCHEMBL1403 0.85 LPAR1 (0.41) HDAC1HDAC8HDAC6ALDH1A1
SCHEMBL7176 0.81 HDAC1 (0.37) HDAC1HDAC8THRBPPARGPPARD
SCHEMBL1859 0.81 KCNA3 (0.37) HDAC1HDAC8THRBHDAC6ALDH1A1
SCHEMBL7466 0.80 LPAR1 (0.47) PPARGPPARDPPARA

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