SCHEMBL22915534

SCHEMBL22915534

CC(CC(C)(c1ccccc1)C(C)(C)C)c1ccc(CN)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 6/20 0.41
KIF11 P52732 4/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
RIPK1 Q13546 1/20 0.37
BACE1 P56817 1/20 0.36
AOC3 Q16853 2/20 0.34
HTR2A P28223 1/20 0.34
MAOA P21397 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
SIGMAR1 Q99720 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
SCHEMBL507696 0.77 HRH3 (0.39) TAAR1LOXL2RIPK1BACE1SLC6A4
SCHEMBL14590349 0.72 LOXL2 (0.50) TAAR1LOXL2RIPK1HTR2AMAOA
SCHEMBL27969129 0.69 LOXL2 (0.54) TAAR1LOXL2BACE1HTR2AMAOA
SCHEMBL27969275 0.69 KIF11 (0.55) TAAR1KIF11LOXL2
SCHEMBL13195294 0.68 TAAR1 (0.50) TAAR1LOXL2BACE1AOC3HTR2A
SCHEMBL1019329 0.68 RIPK1 (0.52) TAAR1RIPK1AOC3SLC6A3
SCHEMBL24246248 0.67 ALDH1A1 (0.46) TAAR1LOXL2
SCHEMBL14644326 0.67 ALDH1A1 (0.46) TAAR1LOXL2
Hydrochloric Acid SCHEMBL27512774 0.67 TAAR1 (0.58) TAAR1LOXL2
SCHEMBL27962752 0.67 HRH3 (0.44) TAAR1KIF11LOXL2

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-20210024991-A1 FLOW CELLS ILLUMINA, INC. 2021-01-28 US disclosed