SCHEMBL2835523

SCHEMBL2835523

CCC(C)[N+](C(C)CC)(C(C)CC)C(C)CC.O=[N+]([O-])[O-]

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL907613 0.82 TSHR (0.38) TSHR
SCHEMBL14860315 0.79 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL17800112 0.78 TSHR (0.35) TSHR
SCHEMBL3899926 0.78 TSHR (0.35) TSHR
SCHEMBL3899928 0.78 TSHR (0.35) TSHR
Bromide SCHEMBL5077793 0.78 TSHR (0.35) TSHR
Water SCHEMBL907833 0.78 TSHR (0.35) TSHR
Fluoride Ion SCHEMBL9226127 0.78 TSHR (0.35) TSHR
SCHEMBL12097988 0.73 ALDH1A1 (0.46) ALDH1A1TSHRMEN1KMT2A
SCHEMBL2834445 0.69 MEN1 (0.40) ALDH1A1TSHRMEN1KMT2A

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-20100072418-A1 Polishing slurry FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed