Tert-Butanol

Tert-Butanol

SCHEMBL4908540

CC(C)(C)O.CCCCC(CC)Cc1ccc(C(=O)O)c(C(=O)O)c1CC(CC)CCCC

nearest known ligand 0.38

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CA2 P00918 5/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 3/20 0.37
MAPK1 P28482 3/20 0.37
LMNA P02545 3/20 0.35
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
PPARA Q07869 1/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 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
SCHEMBL29499694 0.95 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL39656 0.95 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL28721330 0.95 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
Ethylene Glycol SCHEMBL30683813 0.91 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL11557462 0.91 PRSS1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
Phthalic Acid SCHEMBL16585575 0.90 ALDH1A1 (0.46) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL4072756 0.90 PRSS1 (0.43) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL5516184 0.90 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL5521579 0.89 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4TSHRMAPK1
SCHEMBL5521575 0.89 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080157039-A1 Nano-polymeric encapsulation of a key reactant to control chemo-fluorescent active reaction period for chemiluminescent paint ZUCKERMAN MATTHEW MARK 2008-07-03 US claimed