Deanol

Deanol

SCHEMBL16685376

C=C.CC(C)(N)CO.O=C(O)O

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Deanol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
GGT1 P19440 1/20 0.34
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GRM4 Q14833 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
ARG1 P05089 2/20 0.31
ARG2 P78540 2/20 0.31
TET2 Q6N021 1/20 0.31
BLM P54132 1/20 0.30
CYP1A2 P05177 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
Deanol SCHEMBL8040658 0.94 MEN1 (0.39) MEN1KMT2ALMNAGGT1TSHR
Deanol SCHEMBL11871103 0.85 MEN1 (0.37) MEN1KMT2ALMNAGGT1TSHR
Deanol SCHEMBL4621901 0.85 FFAR3 (0.44) MEN1KMT2ALMNAGGT1TSHR
Deanol SCHEMBL5433705 0.84 MEN1 (0.41) MEN1KMT2ALMNAGRM4
Deanol SCHEMBL28335877 0.81 LMNA (0.40) MEN1KMT2ALMNAGGT1TSHR
Deanol SCHEMBL28088488 0.81 LMNA (0.50) MEN1KMT2ALMNAGGT1TSHR
Methacrylic Acid SCHEMBL11265929 0.81 TDP1 (0.39) MEN1KMT2ALMNAGGT1KDM4E
Deanol SCHEMBL609 0.80
Deanol SCHEMBL27486030 0.80 MEN1 (0.50) MEN1KMT2ALMNATSHRALDH1A1
Deanol SCHEMBL4621611 0.80 FFAR3 (0.56) MEN1KMT2ALMNAGGT1TSHR

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
EP-3074488-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL Dow Global Technologies LLC (US) 2016-10-05 EP disclosed
EP-3062912-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL Dow Global Technologies LLC (US) 2016-09-07 EP disclosed
WO-2015065839-A1 HYBRID SOLVENT FORMULATIONS FOR SELECTIVE H2S REMOVAL DOW GLOBLAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed
WO-2015065842-A1 HYBRID SOLVENT FORMULATIONS FOR TOTAL ORGANIC SULFUR REMOVAL AND TOTAL ACIDIC GAS REMOVAL DOW GLOBAL TECHNOLOGIES LLC (US) 2015-05-07 WO disclosed