SCHEMBL6424

SCHEMBL6424

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ANO1 Q5XXA6 1/20 0.34
NPC1 O15118 2/20 0.33
PTGER4 P35408 2/20 0.33
RAB9A P51151 1/20 0.33
PTGES O14684 1/20 0.33
TACR1 P25103 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MMP1 P03956 1/20 0.32
MMP12 P39900 1/20 0.32
TAS2R8 Q9NYW2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL7483 0.92 ANO1 (0.37) MEN1KMT2AANO1NPC1PTGER4
SCHEMBL2232 0.88 LMNA (0.39) MEN1KMT2AANO1NPC1PTGER4
SCHEMBL6660 0.87 SYK (0.41) MEN1KMT2AANO1THRBL3MBTL1
SCHEMBL2012 0.86 LPAR1 (0.43) ANO1PTGER4
SCHEMBL6869 0.86 SYK (0.41) MEN1KMT2AANO1THRBALDH1A1
SCHEMBL6423 0.84 MEN1 (0.38) MEN1KMT2AANO1NPC1RAB9A
SCHEMBL6806 0.81 LPAR1 (0.42) ANO1
SCHEMBL17265476 0.81 MEN1 (0.36) MEN1KMT2AANO1NPC1RAB9A
SCHEMBL6615 0.80 FFAR1 (0.50) ANO1THRB
SCHEMBL10980 0.79 LPAR1 (0.38) MEN1KMT2ANPC1RAB9ATHRB

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