SCHEMBL19861846

SCHEMBL19861846

CC(C)CC(C(C)C)N(C)C(C)C

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL12938060 0.77 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL13995997 0.77 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL14804688 0.77 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL13995996 0.77 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1
SCHEMBL21143184 0.74
SCHEMBL21142857 0.74 ALDH1A1 (0.32) ALDH1A1TSHRMAPK1
SCHEMBL24111165 0.72 TSHR (0.35) TSHR
SCHEMBL13417353 0.72 TSHR (0.35) TSHR
SCHEMBL13417414 0.72 TSHR (0.35) TSHR
SCHEMBL23564628 0.71 ALDH1A1 (0.33) ALDH1A1TSHRMAPK1

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-9890188-B2 Substituted nucleosides, nucleotides and analogs thereof ALIOS BIOPHARMA, INC. (US) 2018-02-13 US disclosed