SCHEMBL12936633

SCHEMBL12936633

CCCOCCOCCOCC[N+](CCO)(CCO)CCO

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
HSD17B10 Q99714 1/20 0.43
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.36
DNM1 Q05193 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.33
SLC22A1 O15245 1/20 0.33
MAPK1 P28482 1/20 0.33
PSMD14 O00487 2/20 0.32
PLA2G1B P04054 2/20 0.32
MMP2 P08253 2/20 0.32
ATG4B Q9Y4P1 2/20 0.32
HSP90AA1 P07900 1/20 0.32
RAD52 P43351 1/20 0.32

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
SCHEMBL12937455 1.00 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT
SCHEMBL18830990 0.98 HSD17B10 (0.44) MEN1KMT2ATHRBHTTMAPT
SCHEMBL26645125 0.93 SLC22A1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL18830949 0.91 HSD17B10 (0.40) MEN1KMT2ATHRBHTTMAPT
SCHEMBL16715750 0.83 MEN1 (0.58) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7112431 0.83 SLC22A1 (0.42) MEN1KMT2ATHRBHTTMAPT
Hydrochloric Acid SCHEMBL10482450 0.81 HTT (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL27018617 0.80 TSHR (0.56) MEN1KMT2ATHRBHTTMAPT
SCHEMBL12937453 0.80 DNM1 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL12936631 0.80 DNM1 (0.48) MEN1KMT2ATHRBHTTMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011017719-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & COMPANY (US) 2011-02-10 WO disclosed
WO-2011011799-A2 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME THE PROCTER & GAMBLE COMPANY (US) 2011-01-27 WO disclosed