SCHEMBL1003447

SCHEMBL1003447

CC(C)(CO)CO.CC(C)(O)C(C)(C)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
MEN1 O00255 1/20 0.31
GMNN O75496 1/20 0.31
GABBR2 O75899 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
HIF1A Q16665 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
SCHEMBL19621 0.88
SCHEMBL229715 0.88 ALDH1A1 (0.35) ALDH1A1MEN1GMNNGABBR2LMNA
SCHEMBL31588091 0.84
Bromide SCHEMBL8990184 0.84 ALDH1A1 (0.33) ALDH1A1MEN1GMNNGABBR2LMNA
SCHEMBL31172630 0.84
SCHEMBL9650455 0.84
SCHEMBL7650639 0.84 ALDH1A1 (0.33) ALDH1A1MEN1GMNNGABBR2LMNA
Bromide SCHEMBL8990185 0.84
SCHEMBL2277021 0.84
SCHEMBL28347473 0.84

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-20110046059-A1 PHARMACEUTICALLY ACCEPTABLE FORMULATIONS/COMPOSITIONS FOR PEPTIDYL DRUGS ZELOS THERAPEUTICS, INC. (US) 2011-02-24 US claimed
WO-2011011675-A1 PHARMACEUTICALLY ACCEPTABLE FORMULATIONS/COMPOSITIONS FOR PEPTIDYL DRUGS ZELOS THERAPEUTICS, INC. (US) 2011-01-27 WO claimed
US-20110046059-A1 PHARMACEUTICALLY ACCEPTABLE FORMULATIONS/COMPOSITIONS FOR PEPTIDYL DRUGS ZELOS THERAPEUTICS, INC. (US) 2011-02-24 US disclosed
WO-2011011675-A1 PHARMACEUTICALLY ACCEPTABLE FORMULATIONS/COMPOSITIONS FOR PEPTIDYL DRUGS ZELOS THERAPEUTICS, INC. (US) 2011-01-27 WO disclosed