SCHEMBL2333488

SCHEMBL2333488

CCOC(=O)N(c1cccc(C(F)(F)F)c1)c1c(C)noc1-c1ccc(-c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 8/20 0.43
HDAC6 Q9UBN7 8/20 0.43
HDAC8 Q9BY41 5/20 0.43
RXRA P19793 6/20 0.43
RXRB P28702 6/20 0.43
RXRG P48443 6/20 0.43
HDAC5 Q9UQL6 3/20 0.42
LTB4R2 Q9NPC1 2/20 0.42
MAPT P10636 1/20 0.42
LPAR1 Q92633 2/20 0.40
LPAR2 Q9HBW0 1/20 0.38
LPAR3 Q9UBY5 1/20 0.38

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
SCHEMBL2337994 0.93 HDAC6 (0.43) HDAC1HDAC6HDAC8HDAC5LTB4R2
SCHEMBL2341767 0.88 LPAR1 (0.44) RXRARXRBRXRGMAPTLPAR1
SCHEMBL1286656 0.87 LPAR1 (0.48) RXRARXRBRXRGMAPTLPAR1
SCHEMBL2761502 0.87 HDAC1 (0.40) HDAC1HDAC6HDAC8HDAC5LTB4R2
SCHEMBL2338529 0.87 LPAR1 (0.44) RXRARXRBRXRGMAPTLPAR1
SCHEMBL9998264 0.86 LPAR1 (0.48) RXRARXRBRXRGMAPTLPAR1
SCHEMBL1247195 0.86 HDAC1 (0.43) HDAC1HDAC6HDAC8RXRARXRB
SCHEMBL2761307 0.85 MAPT (0.37) HDAC1HDAC6HDAC8HDAC5LTB4R2
SCHEMBL2761437 0.85 HDAC1 (0.41) HDAC1HDAC6HDAC8HDAC5LTB4R2
SCHEMBL2635830 0.85 LPAR1 (0.42) HDAC1HDAC6HDAC8HDAC5LTB4R2

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 claimed
WO-2010077883-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO claimed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed