SCHEMBL28489237

SCHEMBL28489237

CCCCCCCCCCCCNCCC[N+](C)([O-])CC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
LSS P48449 1/20 0.45
DNM1 Q05193 7/20 0.40
S1PR2 O95136 5/20 0.40
S1PR4 O95977 5/20 0.40
S1PR1 P21453 5/20 0.40
S1PR3 Q99500 5/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
S1PR5 Q9H228 1/20 0.40
EPHX1 P07099 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAD52 P43351 1/20 0.39
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH4 P08319 1/20 0.39
ADH7 P40394 1/20 0.39

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
SCHEMBL17941526 0.92 ALDH1A1 (0.52) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL17941548 0.88 ALDH1A1 (0.52) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL8410558 0.83 LSS (0.67) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL28730764 0.83 LSS (0.67) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL8824277 0.83 LSS (0.67) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL28939049 0.83 LSS (0.67) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL28730760 0.83 LSS (0.67) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL28491639 0.83 ALDH1A1 (0.46) ALDH1A1TSHRLSSDNM1S1PR2
SCHEMBL27777 0.83 LSS (0.64) LSSDNM1HTTKMT2AHSP90AA1
Tetradecane SCHEMBL7780159 0.83 LSS (0.64) LSSDNM1HTTKMT2AHSP90AA1

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-108026479-B Detergent composition for clothing 花王株式会社 2020-12-08 CN disclosed