SCHEMBL8040190

SCHEMBL8040190

CC(C)COC(=O)OOC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
ALDH1A1 P00352 3/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS1 P23219 1/20 0.36
APEX1 P27695 1/20 0.36
THPO P40225 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.33
MAPK1 P28482 1/20 0.32
HPGD P15428 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
RAB9A P51151 1/20 0.30
P2RX4 Q99571 1/20 0.30

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
SCHEMBL7950633 0.88 TSHR (0.38) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL8504049 0.83 TSHR (0.32) TSHR
SCHEMBL7125831 0.82 TSHR (0.37) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL15780155 0.82 MAPT (0.40) TSHRALDH1A1TDP1HSD17B10
SCHEMBL631747 0.82 TSHR (0.50) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL8359103 0.81 TSHR (0.36) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL8201970 0.80 TSHR (0.38) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL7059830 0.80 TSHR (0.35) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL6366841 0.78 TSHR (0.43) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL30018016 0.78 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA

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
US-6111042-A HIGH POLYMERIZATION INITIATION EFFICIENCY NOF CORPORATION (JP) 2000-08-29 US disclosed
EP-0879224-A4 NOVEL POLY(MONOPEROXYCARBONATES) ATOCHEM NORTH AMERICA ELF (US) 1999-05-26 EP disclosed
EP-0879224-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-11-25 EP disclosed
WO-1998007684-A1 NOVEL POLY(MONOPEROXYCARBONATES) ELF ATOCHEM NORTH AMERICA, INC. (US) 1998-02-26 WO disclosed