SCHEMBL22280133

SCHEMBL22280133

CC1(C)CCCCCCCCCC(C)(N)CCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL20330373 1.00 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL24399583 1.00 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL22942097 0.97 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL14295210 0.97 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL16985083 0.95 ALDH1A1 (0.30) ALDH1A1TDP1
SCHEMBL12462191 0.94 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL22280148 0.92 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL22020472 0.92 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL12672110 0.88 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL21168625 0.88 ALDH1A1 (0.32) ALDH1A1TDP1

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
WO-2020154321-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed