Propane

Propane

SCHEMBL28077537

CC1CCCC(NC=O)C1.CCC

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 5/20 0.56
ADH1A P07327 5/20 0.56
ADH1C P00326 4/20 0.56
ADH7 P40394 3/20 0.56
ADH4 P08319 2/20 0.48
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
LMNA P02545 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
SCHEMBL1766618 0.94 ADH1B (0.62) ADH1BADH1AADH1CADH7ADH4
SCHEMBL1766404 0.81
SCHEMBL20759347 0.78 ADH1B (0.70) ADH1BADH1AADH1CADH7ADH4
SCHEMBL3613045 0.74 ADH1A (0.52) ADH1BADH1AADH1CADH7ADH4
SCHEMBL11057872 0.74 ALDH1A1 (0.43) ADH1BADH1AADH1CADH7CA12
SCHEMBL19932446 0.74 ADH1B (0.34) ADH1BADH1AADH1CADH7
SCHEMBL115509 0.73
SCHEMBL18070254 0.72
SCHEMBL17286038 0.72
SCHEMBL14303471 0.72

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
CN-105748307-A Smell-masking oral care composition 高露洁-棕榄公司 2016-07-13 CN claimed