SCHEMBL10015967

SCHEMBL10015967

C[N+](C)(C)CCOOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TSHR P16473 3/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
CYP3A4 P08684 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CHRM5 P08912 5/20 0.37
CHRM1 P11229 5/20 0.37
CHRM3 P20309 5/20 0.37
CHRM2 P08172 4/20 0.37
CHRM4 P08173 4/20 0.37
CHRNB2 P17787 3/20 0.37
CHRNA7 P36544 3/20 0.37
CHRNA4 P43681 3/20 0.37
HTR1A P08908 2/20 0.37

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
Hydrochloric Acid SCHEMBL28256084 0.98 MEN1 (0.48) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL7650164 0.88 MEN1 (0.58) MEN1KMT2ATSHRMAPK1LMNA
Water SCHEMBL6891802 0.86 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL28873867 0.86 MEN1 (0.55) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8383208 0.85 LMNA (0.48) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL1674935 0.85 TSHR (0.56) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL23723493 0.83 CYP3A4 (0.52) MEN1KMT2ATSHRMAPK1LMNA
Water SCHEMBL5790238 0.83 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
Hydrochloric Acid SCHEMBL4359628 0.83 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
Bromide SCHEMBL27927822 0.83 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA

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
US-20120015446-A1 Chemiluminescent Compositions, Enhancing Reagents for Chemiluminescence and Methods for the Preparation and Use Thereof SHENZHEN MINDRAY BIO-MEDICAL ELECTRONICS CO., LTD. (CN) 2012-01-19 US disclosed