SCHEMBL8505129

SCHEMBL8505129

COC(CCCOc1cc[c]cc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SLC6A4 P31645 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
LTA4H P09960 2/20 0.37
HTR1B P28222 1/20 0.37
GAA P10253 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
SLC7A5 Q01650 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL11511000 0.92 KCNA3 (0.37) KCNA3SLC6A4HRH3LTA4HHTR1B
SCHEMBL1509392 0.83 SCN4A (0.43) SLC6A4PPARG
SCHEMBL28383641 0.81 KCNA3 (0.41) KCNA3TDP1SLC6A4HRH3LTA4H
SCHEMBL15658179 0.79 ALDH1A1 (0.43) SLC6A4GPR88ALDH1A1SLC7A5
SCHEMBL8326927 0.78 SCN4A (0.50) KCNA3TDP1DRD2DRD4DRD3
SCHEMBL1282922 0.77 KCNA3 (0.43) KCNA3HRH3HTR1BDRD2DRD4
SCHEMBL6956956 0.76 RIPK1 (0.43) KCNA3TDP1
SCHEMBL6539549 0.74 KCNA3 (0.73) KCNA3LTA4HHTR1BDRD2DRD4
SCHEMBL5583706 0.74 KCNA3 (0.65) KCNA3LTA4HHTR1BDRD2DRD4
SCHEMBL4450767 0.74 SLC6A4 (0.50) SLC6A4HRH3DRD2SLC7A5

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-5892042-A OPTICAL RECORDING MEDIA WITH ACRIDINE DYES ON TRANSPARENT SUBSTRATE NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1999-04-06 US claimed