SCHEMBL11533018

SCHEMBL11533018

C1CCC1.CCCN(C=O)C(CC)CC

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 3/20 0.42
ADH1C P00326 2/20 0.39
SLC2A1 P11166 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
SCHEMBL8846294 0.80 TSHR (0.37) ADH1AADH1C
SCHEMBL18993784 0.74
SCHEMBL271482 0.74
SCHEMBL269246 0.73 ADH1A (0.33) ADH1AADH1C
SCHEMBL58555 0.72
SCHEMBL11636251 0.71 ADH1A (0.32) ADH1AADH1C
SCHEMBL11703418 0.71 ADH1A (0.32) ADH1AADH1C
Hydrochloric Acid SCHEMBL9092359 0.71 ADH1A (0.32) ADH1AADH1C
SCHEMBL2001341 0.70
Hydrochloric Acid SCHEMBL8307302 0.70 CA1 (0.35) ADH1AADH1C

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
US-4137304-A TOPICAL OR ORAL ADMINISTERED TOBACCO PRODUCT WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4137305-A TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-30 US disclosed
US-4136164-A FOR USE IN FOODS, TOPICAL PREPARATIONS, AND TOBACCO WILKINSON SWORD LIMITED (GB) 1979-01-23 US disclosed