SCHEMBL2232

SCHEMBL2232

CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC(O)OCc4cccc(C(F)(F)F)c4)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LPAR1 Q92633 6/20 0.35
ABCC3 O15438 1/20 0.35
ABCC4 O15439 1/20 0.35
ABCB11 O95342 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB4 P21439 1/20 0.35
ABCC2 Q92887 1/20 0.35
SLCO1B3 Q9NPD5 1/20 0.35
SLCO1B1 Q9Y6L6 1/20 0.35
LPAR3 Q9UBY5 5/20 0.35
ANO1 Q5XXA6 1/20 0.35
NPC1 O15118 2/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2012 0.92 LPAR1 (0.43) LPAR1ABCC3ABCC4ABCB11CYP2C8
SCHEMBL6424 0.88 MEN1 (0.37) LMNATSHRNPSR1TDP1MEN1
SCHEMBL1246 0.88 ABCC3 (0.43) LMNATSHRNPSR1TDP1LPAR1
SCHEMBL1787 0.88 ABCC3 (0.43) LMNATSHRNPSR1TDP1LPAR1
SCHEMBL1679 0.87 EPHX1 (0.39) LMNATSHRNPSR1TDP1MEN1
SCHEMBL7483 0.85 ANO1 (0.37) MEN1KMT2AANO1NPC1L3MBTL1
SCHEMBL6660 0.85 SYK (0.41) MEN1KMT2AANO1L3MBTL1THRB
SCHEMBL2231 0.84 MEN1 (0.40) LMNATSHRNPSR1TDP1MEN1
SCHEMBL6869 0.84 SYK (0.41) TDP1MEN1KMT2AANO1THRB
SCHEMBL6806 0.82 LPAR1 (0.42) LPAR1LPAR3ANO1

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-2011041729-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041694-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed