SCHEMBL5227296

SCHEMBL5227296

Cc1c(OC(C)(C)C)cccc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 1/20 0.46
TSHR P16473 4/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 4/20 0.44
ALDH1A1 P00352 4/20 0.44
PTGS2 P35354 2/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44
BLM P54132 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALOX15 P16050 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
HTT P42858 2/20 0.42

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
SCHEMBL30050310 0.84 KCNK3 (0.46) PTGER1TSHRMAPK1HPGDKDM4E
SCHEMBL4888341 0.84 KCNK3 (0.46) PTGER1TSHRMAPK1HPGDKDM4E
SCHEMBL282647 0.83 KDM4E (0.58) TSHRMAPK1HPGDKDM4EHSD17B10
SCHEMBL1508738 0.83 PTGER1 (0.43) PTGER1TSHRMAPK1HPGDKDM4E
Bicarbonate SCHEMBL238203 0.81 KDM4E (0.56) TSHRMAPK1HPGDKDM4EHSD17B10
SCHEMBL6559414 0.81 KDM4E (0.56) TSHRMAPK1HPGDKDM4EHSD17B10
SCHEMBL8645581 0.81 KDM4E (0.56) TSHRMAPK1HPGDKDM4EHSD17B10
SCHEMBL16953413 0.81 KCNH2 (0.36) TSHRMAPK1HPGDKDM4EHSD17B10
Bicarbonate SCHEMBL20694826 0.81 KDM4E (0.56) TSHRMAPK1HPGDKDM4EHSD17B10
Bicarbonate SCHEMBL29943603 0.81 KDM4E (0.56) TSHRMAPK1HPGDKDM4EHSD17B10

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-1799661-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES AstraZeneca AB (SE) 2007-06-27 EP disclosed
WO-2006038871-A1 NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES ASTRAZENECA AB (SE) 2006-04-13 WO disclosed