SCHEMBL4439738

SCHEMBL4439738

CC(C)(C)C(Oc1ccccc1)(C1CO1)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
TSHR P16473 6/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 5/20 0.33
GLA P06280 1/20 0.33
CA4 P22748 1/20 0.32
HSD11B1 P28845 1/20 0.32
HSD11B2 P80365 1/20 0.32
ALOX15 P16050 1/20 0.31
CCR6 P51684 1/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ADRA1A P35348 1/20 0.31
TP53 P04637 3/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
HIF1A Q16665 2/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL6950114 0.81 TDP1 (0.41) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL25009711 0.78 TDP1 (0.39) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL30687346 0.76 TDP1 (0.44) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL18528244 0.75 TDP1 (0.41) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL1665727 0.70 MEN1 (0.41) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL10864074 0.70 TDP1 (0.40) TDP1MEN1KMT2ATSHRALDH1A1
SCHEMBL29234900 0.67 TDP1 (0.56) TDP1MEN1KMT2ATSHRMAPK1
SCHEMBL12359993 0.66 CA4 (0.43) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL11580065 0.66 CA4 (0.43) MEN1KMT2ATSHRMAPK1ALDH1A1
SCHEMBL22797268 0.66 TDP1 (0.35) TDP1MEN1KMT2AHRH3PPARG

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-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 WO disclosed