SCHEMBL23633882

SCHEMBL23633882

CCCCCCC(C)(CCCCCC)Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 2/20 0.42
HTT P42858 1/20 0.42
KCNH3 Q9ULD8 1/20 0.39
ICMT O60725 1/20 0.39
ALB P02768 1/20 0.39
SOAT2 O75908 1/20 0.39
SOAT1 P35610 1/20 0.39
TLR8 Q9NR97 1/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC3 O15379 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
NAAA Q02083 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL23819890 0.96 GAA (0.44) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL25857253 0.96 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL7174301 0.85 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454049 0.85 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL9146997 0.85 GAA (0.46) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL29038512 0.84 GAA (0.43) GAAALDH1A1NPSR1
SCHEMBL11329795 0.83 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL1454677 0.83 GAA (0.47) GAAEPHX1ALDH1A1HTTKCNH3
SCHEMBL21790580 0.82 NAAA (0.41) ALDH1A1HTTTLR8HDAC3NAAA
SCHEMBL20716198 0.81 CNR2 (0.39) TLR8HDAC3HDAC1HDAC2

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-11063220-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2021-07-13 US disclosed