Tert-Butanol

Tert-Butanol

SCHEMBL17065243

CC(C)(C)O.CCCC(=O)OC(C)(C)C

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC1 Q13547 6/20 0.36
HDAC2 Q92769 6/20 0.36
HDAC3 O15379 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
FFAR3 O14843 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA1 P00915 1/20 0.35
CA7 P43166 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
STING1 Q86WV6 1/20 0.34
DGAT1 O75907 1/20 0.33
CTSK P43235 1/20 0.33
EPHX2 P34913 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL10446 0.95 ALDH1A1 (0.55) ALDH1A1CES2CES1HDAC1HDAC2
Hydrochloric Acid SCHEMBL28392661 0.93 ALDH1A1 (0.52) ALDH1A1CES2CES1HDAC1HDAC2
Water SCHEMBL28271653 0.93 ALDH1A1 (0.52) ALDH1A1CES2CES1HDAC1HDAC2
SCHEMBL28813361 0.93 ALDH1A1 (0.52) ALDH1A1CES2CES1HDAC1HDAC2
SCHEMBL11765115 0.93 ALDH1A1 (0.52) ALDH1A1CES2CES1HDAC1HDAC2
Benzene SCHEMBL10578594 0.88 ALDH1A1 (0.48) ALDH1A1CES2CES1HDAC1HDAC2
SCHEMBL15796754 0.86 ALDH1A1 (0.46) ALDH1A1CES2CES1HDAC1HDAC2
SCHEMBL19029662 0.85 ALDH1A1 (0.44) ALDH1A1CES2CES1HDAC1HDAC2
SCHEMBL9744519 0.83 ALDH1A1 (0.52) ALDH1A1CES2CES1HDAC1HDAC2
Trifluoroacetic Acid SCHEMBL28778382 0.83 ALDH1A1 (0.43) ALDH1A1CES2CES1HDAC1HDAC2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11193925-B2 Medication adherence monitoring device UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2021-12-07 US disclosed
US-20200103394-A1 MEDICATION ADHERENCE MONITORING DEVICE UNIV FLORIDA (US) 2020-04-02 US disclosed
EP-3188663-A1 MEDICATION ADHERENCE MONITORING DEVICE University of Florida Research Foundation (US) 2017-07-12 EP disclosed
US-20170074857-A1 MEDICATION ADHERENCE MONITORING DEVICE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2017-03-16 US disclosed
WO-2015134390-A1 MEDICATION ADHERENCE MONITORING DEVICE UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) 2015-09-11 WO disclosed