SCHEMBL13239574

SCHEMBL13239574

O=C1c2ccccc2C(=O)N1CCCCCCCCCCCP(=O)(O)CP(=O)(O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
MAPK1 P28482 1/20 0.60
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HDAC8 Q9BY41 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47

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
SCHEMBL31499011 0.88 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL7330639 0.88 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL1566399 0.88 TSHR (0.58) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL17557089 0.86 TSHR (0.60) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL7431247 0.82 TSHR (0.56) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL27153628 0.82 TSHR (0.56) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL2182918 0.81 TSHR (0.66) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL12650979 0.79 TSHR (0.53) TSHRMAPK1TDP1L3MBTL1HDAC8
SCHEMBL8862878 0.79 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4
SCHEMBL2604742 0.79 TDP1 (0.75) TDP1L3MBTL1HDAC8HDAC3HDAC4

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
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed
US-7754200-B2 Phosphate transport inhibitors GENZYME CORPORATION (US) 2010-07-13 US disclosed