SCHEMBL1573497

SCHEMBL1573497

CC[N+](CC)(CCCO)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 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
SCHEMBL339794 0.77 HSD17B10 (0.34)
Hydrochloric Acid SCHEMBL28827713 0.75 HSD17B10 (0.33) KDM4E
SCHEMBL5874470 0.73 SLC22A1 (0.41)
Propane SCHEMBL11244315 0.73 MEN1 (0.33)
SCHEMBL1573671 0.71 MEN1 (0.32)
SCHEMBL28323081 0.71 BBOX1 (0.50)
Ethane SCHEMBL11300118 0.70 MEN1 (0.35)
SCHEMBL5874546 0.67 SLC22A1 (0.35)
1,3-Propanediol SCHEMBL575455 0.66 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4E
1,4-Butanediol SCHEMBL575604 0.66 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2KDM4E

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
EP-2025743-B1 Hard surface cleaning compostion PROCTER & GAMBLE (US) 2011-04-13 EP claimed