Docosanol

Docosanol

SCHEMBL28032775

CCCCCCCCCCCCCCCCCCCCCCO.O=C(O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gBgCgDgEgGgHgIgJgKgLgMgN

The experimentally established mechanism targets of Docosanol. 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
ALDH1A1 P00352 4/20 0.58
TSHR P16473 5/20 0.50
LMNA P02545 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HSPD1 P10809 1/20 0.47
BLM P54132 1/20 0.47
HSPE1 P61604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 6/20 0.43
PPARD Q03181 6/20 0.43
PPARA Q07869 6/20 0.43
HDAC11 Q96DB2 5/20 0.43
GPR84 Q9NQS5 4/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
Cetyl Alcohol SCHEMBL27695077 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Citric Acid SCHEMBL28593338 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Citric Acid SCHEMBL28592422 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Octacosanol SCHEMBL27695196 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Dodecanol SCHEMBL27615232 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Citric Acid SCHEMBL23043753 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Cetostearyl Alcohol SCHEMBL8679742 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Citric Acid SCHEMBL28887780 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Citric Acid SCHEMBL28592430 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1
Myristyl Alcohol SCHEMBL27916759 1.00 ALDH1A1 (0.58) ALDH1A1TSHRLMNAHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072446-A Preparation method and application of plant growth hormone 张�林 2021-07-06 CN disclosed
CN-104880921-A Image forming method KONICA MINOLTA INC 2015-09-02 CN disclosed