Propanol

Propanol

SCHEMBL27670522

CCCO.Cc1c(C(=O)O)cccc1C(=O)O.[Ta]

nearest known ligand 0.49

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 3/20 0.47
ALOX15 P16050 1/20 0.44
MYC P01106 2/20 0.43
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
AKR1B10 O60218 1/20 0.42
TRPA1 O75762 1/20 0.42
ABCB11 O95342 1/20 0.42
DHFR P00374 1/20 0.42
LMNA P02545 1/20 0.42
MPO P05164 1/20 0.42
CYP1A2 P05177 1/20 0.42
CHRM1 P11229 1/20 0.42

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
Propanol SCHEMBL27261793 0.98 TSHR (0.50) TSHRALDH1A1KDM4EHSD17B10HPGD
Phosphoric Acid SCHEMBL27864847 0.91 TSHR (0.45) TSHRALDH1A1KDM4EHSD17B10HPGD
Butane SCHEMBL27416321 0.90 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10HPGD
Ethylene Glycol SCHEMBL28111694 0.90 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10HPGD
Alcohol SCHEMBL27709246 0.90 TSHR (0.53) TSHRALDH1A1KDM4EHSD17B10HPGD
Benzoic Acid SCHEMBL28845308 0.89 TSHR (0.48) TSHRALDH1A1KDM4EHSD17B10HPGD
Butyl Alcohol SCHEMBL27934969 0.89 TSHR (0.46) TSHRALDH1A1KDM4EHSD17B10HPGD
Butyl Alcohol SCHEMBL27750072 0.87 TSHR (0.45) TSHRALDH1A1KDM4EHSD17B10HPGD
1,3-Propanediol SCHEMBL28172486 0.86 TSHR (0.50) TSHRALDH1A1KDM4EHSD17B10HPGD
Cetostearyl Alcohol SCHEMBL28833505 0.85 ALDH1A1 (0.46) TSHRALDH1A1KDM4EHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103254035-A Process for preparing high purity zirconium-, hafnium-, tantalum-, and niobium-alkoxides STARCK H C GMBH 2013-08-21 CN disclosed
CN-1919813-B Process for preparing high purity zirconium, hafnium, tantalum and niobium alkoxides STARCK H C GMBH 2013-03-27 CN disclosed
CN-1919813-A Process for preparing high purity zirconium, hafnium, tantalum and niobium alkoxides STARCK H C GMBH (DE) 2007-02-28 CN disclosed