SCHEMBL7415225

SCHEMBL7415225

CC(C)(C)CC(=O)Oc1cccc(OCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
RECQL P46063 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
CYP3A4 P08684 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NSD2 O96028 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 2/20 0.40
ACHE P22303 1/20 0.39
EPHX2 P34913 1/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL17138190 0.87 KMT2A (0.48) CYP3A4KMT2AGAAACHELMNA
SCHEMBL27578836 0.81 LMNA (0.50) MTNR1AMTNR1BKMT2AGAAACHE
SCHEMBL28389846 0.80 LMNA (0.61) ALDH1A1SMN1; SMN2CYP3A4KMT2AGAA
SCHEMBL27772417 0.78 FFAR1 (0.40) KMT2AACHE
SCHEMBL48418 0.77 ALDH1A1 (0.70) ALDH1A1RECQLKMT2AGAAMAPK1
SCHEMBL7415224 0.77 LMNA (0.45) ALDH1A1RECQLMTNR1AMTNR1BKDM4E
SCHEMBL2448081 0.76 L3MBTL1 (0.47) ALDH1A1SMN1; SMN2KMT2AGAALMNA
Ethylene Glycol SCHEMBL7206927 0.75 ALDH1A1 (0.67) ALDH1A1RECQLKMT2AGAAMAPK1
SCHEMBL28220738 0.75 ACHE (0.47) CYP3A4KMT2AACHELMNA
SCHEMBL11082567 0.75 L3MBTL1 (0.50) ALDH1A1RECQLMTNR1AMTNR1BKDM4E

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-1173415-A1 DIPHENYLUREA DERIVATIVES AstraZeneca AB (SE) 2002-01-23 EP disclosed
WO-2000064866-A1 DIPHENYLUREA DERIVATIVES ASTRAZENECA AB (SE) 2000-11-02 WO disclosed