SCHEMBL5522764

SCHEMBL5522764

CCSc1cc(C)c(N)c(SCC)c1N.CCSc1cc(SCC)c(N)c(C)c1N

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
AOC3 Q16853 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
SCHEMBL48603 0.94 ALDH1A1 (0.34) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL1797285 0.94
SCHEMBL9179742 0.89 ALDH1A1 (0.36) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL48321 0.87 AOC3 (0.36) ALDH1A1MAPTHTTAOC3
SCHEMBL8764612 0.85
SCHEMBL8540338 0.84 AOC3 (0.38) ALDH1A1MAPTAOC3
SCHEMBL8764562 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL6911477 0.84 ALDH1A1 (0.32) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL9184128 0.82 ALDH1A1 (0.40) ALDH1A1MAPTHTTTP53CYP3A4
SCHEMBL6910768 0.79 AOC3 (0.32) AOC3

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-7157512-B2 Golf balls comprising highly-neutralized acid polymers ACUSHNET COMPANY (US) 2007-01-02 US disclosed