SCHEMBL1508470

SCHEMBL1508470

O=C(O)COc1ccccc1OC(F)(F)F.O=C1COc2c(OC(F)(F)F)cccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GLA P06280 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PARP1 P09874 1/20 0.40
RORC P51449 1/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CTSA P10619 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DDB1 Q16531 1/20 0.36

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
SCHEMBL7522216 0.85 PARP1 (0.50) L3MBTL1POLBSMN1; SMN2GLAPARP1
SCHEMBL1508794 0.84 PARP1 (0.46) L3MBTL1POLBPARP1ALDH1A1KDM4E
SCHEMBL1508488 0.80 L3MBTL1 (0.61) RXRARXRBRXRGL3MBTL1POLB
SCHEMBL7520364 0.73 LTB4R (0.46) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL2319086 0.71 ALDH1A1 (0.36) L3MBTL1POLBALDH1A1KDM4E
SCHEMBL4577451 0.69 PTGDR2 (0.56) POLBSMN1; SMN2FFAR4RORCPTGDR2
SCHEMBL340762 0.67 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL29682135 0.67 L3MBTL1 (0.80) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
Ammonia Solution, Strong SCHEMBL28240461 0.66 L3MBTL1 (0.77) L3MBTL1POLBSMN1; SMN2GLAPTGDR2
SCHEMBL74333 0.66 MAPT (0.51) PARP1KDM4EMRGPRX4MEN1KMT2A

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-2289868-B1 CARBOXYLIC ACID COMPOUND DAIICHI SANKYO CO LTD (JP) 2014-08-13 EP disclosed
US-8222281-B2 Carboxylic acid compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-17 US disclosed
EP-2289868-A1 CARBOXYLIC ACID COMPOUND Daiichi Sankyo Company, Limited (JP) 2011-03-02 EP disclosed