SCHEMBL4414357

SCHEMBL4414357

CCOC(=O)CC(=O)C1C(C)(C)C1(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 4/20 0.41
TRPA1 O75762 1/20 0.41
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
CYP1A2 P05177 1/20 0.36
EPHX2 P34913 1/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
SOAT1 P35610 1/20 0.34
ELANE P08246 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL3526401 0.76 GAA (0.52) GAAMGAMSIMGAM2ALOX15
SCHEMBL28719372 0.75 GAA (0.50) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL8636 0.74 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1331187 0.74 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1331824 0.74 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1330550 0.74 GAA (1.00) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL1864301 0.74 GAA (1.00) GAAMGAMSIMGAM2ALOX15
SCHEMBL3688695 0.73 LMNA (0.46) GAAMGAMSIMGAM2ALOX15
SCHEMBL1014646 0.72 GAA (0.58) GAAMGAMSIMGAM2ALOX15
Malonic Acid Diethyl Ester SCHEMBL4334303 0.71 GAA (0.94) GAAMGAMSIMGAM2ALOX15

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009068512-A1 2 -AMINO-PYRIMIDINE DERIVATIVES AS HISTAMINE H4 ANTAGONISTS PALAU PHARMA, S. A. (ES) 2009-06-04 WO disclosed
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed
EP-1218373-A2 2-PYRAZOLIN-5-ONES AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2002-07-03 EP disclosed
WO-2001009121-A2 2-PYRAZOLIN-5-ONES_AS TYROSINE KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-02-08 WO disclosed