SCHEMBL1859

SCHEMBL1859

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4N(C)CCCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC6 Q9UBN7 4/20 0.37
HDAC8 Q9BY41 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
LPAR1 Q92633 2/20 0.35
LPAR3 Q9UBY5 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
HDAC5 Q9UQL6 2/20 0.35
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ABCC3 O15438 1/20 0.34

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
SCHEMBL1403 0.91 LPAR1 (0.41) HDAC1HDAC6HDAC8KMT2AMEN1
SCHEMBL2284 0.90 NPSR1 (0.43) KCNA3KMT2AMEN1ALDH1A1TDP1
SCHEMBL11897090 0.89 HDAC1 (0.36) HDAC1HDAC6HDAC8KMT2AMEN1
SCHEMBL1568 0.88 KCNA3 (0.39) KCNA3ALDH1A1MAPTTDP1LPAR1
SCHEMBL1934 0.88 KCNA3 (0.48) KCNA3KMT2AMEN1ALDH1A1LPAR1
SCHEMBL2761456 0.87 KMT2A (0.36) KCNA3HDAC1HDAC6HDAC8KMT2A
SCHEMBL6630 0.86 HDAC1 (0.40) HDAC1HDAC6HDAC8KMT2AMEN1
SCHEMBL1879 0.85 KMT2A (0.40) KCNA3KMT2AMEN1ALDH1A1MAPT
SCHEMBL6082 0.85 HDAC1 (0.34) HDAC1HDAC6HDAC8KMT2AMEN1
SCHEMBL6543 0.85 HDAC1 (0.40) HDAC1HDAC6HDAC8KMT2AMEN1

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-2483253-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
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
WO-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed