SCHEMBL6182233

SCHEMBL6182233

CCOC(=O)c1ccccc1P(=O)(OCC)OCC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.62
HSD17B10 Q99714 4/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CDC25B P30305 1/20 0.47
NPSR1 Q6W5P4 2/20 0.46
HTT P42858 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 4/20 0.45
LMNA P02545 2/20 0.45
MAPK10 P53779 1/20 0.45
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11655079 0.86 TSHR (0.61) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL28817719 0.86 TSHR (0.61) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL16047528 0.84 TSHR (0.59) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL4042331 0.83 TSHR (0.67) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11656059 0.83 TSHR (0.61) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9863250 0.81 POLB (0.47) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7588723 0.80 CA12 (0.50) TSHRALDH1A1MEN1KMT2AHTT
Diethyl Phthalate SCHEMBL22296 0.78 TSHR (1.00) TSHRHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL18486629 0.78 MEN1 (0.61) TSHRHSD17B10ALDH1A1MEN1KMT2A
Diethyl Phthalate SCHEMBL29404255 0.78 TSHR (1.00) TSHRHSD17B10ALDH1A1MEN1KMT2A

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-1408978-A4 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMA INC (US) 2005-07-13 EP disclosed
EP-1408978-A2 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2004-04-21 EP disclosed
WO-2003000186-A2 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed