SCHEMBL27995236

SCHEMBL27995236

CCCCCCCCCCCCCCNCCCCCCCCCCCC.CCC[N+](C)(C)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.60
ALDH1A1 P00352 1/20 0.56
TSHR P16473 1/20 0.56
DNM1 Q05193 9/20 0.43
S1PR2 O95136 5/20 0.42
S1PR4 O95977 5/20 0.42
S1PR1 P21453 5/20 0.42
S1PR3 Q99500 5/20 0.42
S1PR5 Q9H228 1/20 0.42
EPHX1 P07099 2/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL8410558 0.91 LSS (0.67) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL27174166 0.91 LSS (0.60) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL28730764 0.91 LSS (0.67) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL8824277 0.91 LSS (0.67) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL28939049 0.91 LSS (0.67) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL28730760 0.91 LSS (0.67) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL5988601 0.89 LSS (0.62) LSSALDH1A1TSHRDNM1S1PR2
SCHEMBL17941548 0.83 ALDH1A1 (0.52) LSSALDH1A1TSHRDNM1S1PR2
Hydrogen Sulfide SCHEMBL27758208 0.81 TSHR (0.87) ALDH1A1TSHRS1PR2S1PR4S1PR1
SCHEMBL23929270 0.78 TSHR (0.93) ALDH1A1TSHRS1PR2S1PR4S1PR1

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-102549139-B Compositions comprising sulfonated estolides and alkyl ester sulfonates, methods of making the same, and compositions and methods of using the same STEPAN CO 2015-03-11 CN disclosed