SCHEMBL28558284

SCHEMBL28558284

CCCC[N+](C)(C)C(O)CC

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.39
DNM1 Q05193 9/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
PSMD14 O00487 2/20 0.33
PLA2G1B P04054 2/20 0.33
MMP2 P08253 2/20 0.33
ATG4B Q9Y4P1 2/20 0.33
HSP90AA1 P07900 1/20 0.33
SLC22A2 O15244 1/20 0.33
RAD52 P43351 1/20 0.33

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
SCHEMBL97764 0.91 DNM1 (0.48) SLC22A1DNM1HTTHSP90AA1RAD52
SCHEMBL97959 0.91 DNM1 (0.48) SLC22A1DNM1HTTHSP90AA1RAD52
Bromide SCHEMBL28939051 0.89 DNM1 (0.50) SLC22A1DNM1TSHRHTTHSP90AA1
Hydrochloric Acid SCHEMBL19436590 0.89 DNM1 (0.50) SLC22A1DNM1HTTPLA2G1BATG4B
Hydrochloric Acid SCHEMBL27991373 0.89 DNM1 (0.50) SLC22A1DNM1HTTPLA2G1BATG4B
Bromide SCHEMBL28730784 0.89 DNM1 (0.50) SLC22A1DNM1TSHRHTTHSP90AA1
Bromide SCHEMBL28730782 0.89 DNM1 (0.50) SLC22A1DNM1TSHRHTTHSP90AA1
Hydrochloric Acid SCHEMBL28388151 0.89 DNM1 (0.50) SLC22A1DNM1HTTPLA2G1BATG4B
Hydrochloric Acid SCHEMBL28385909 0.89 DNM1 (0.50) SLC22A1DNM1HTTPLA2G1BATG4B
SCHEMBL27929931 0.84 SLC22A1 (0.40) SLC22A1TSHR

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-107406389-B Electrochromic compounds with improved color stability in the free radical state 金泰克斯公司 2021-05-11 CN disclosed