SCHEMBL8626518

SCHEMBL8626518

CCCCN(CCCCCN(CCCC)c1ccc(C=O)cc1)c1ccc(C=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
ALDH1A3 P47895 4/20 0.63
ALDH3A1 P30838 3/20 0.63
CYP2A6 P11509 1/20 0.47
CYP2A13 Q16696 1/20 0.47
AR P10275 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
INSR P06213 1/20 0.42
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CNR2 P34972 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10612062 0.98 ALDH1A1 (0.66) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL26836706 0.96 ALDH1A1 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL10438443 0.96 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL609500 0.96 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL9448811 0.96 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL9875023 0.96 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL1166127 0.96 ALDH1A3 (0.63) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL420424 0.96 ALDH1A1 (0.68) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL9442184 0.95 ALDH3A1 (0.61) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13
SCHEMBL4003205 0.95 ALDH1A1 (0.66) ALDH1A1ALDH1A3ALDH3A1CYP2A6CYP2A13

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847870-A1 Dyes for a thermal transfer dye-donor recording sheet DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1998-06-17 EP disclosed
EP-0582324-B1 Heat transfer sheet DAINIPPON PRINTING CO LTD (JP) 1996-10-23 EP disclosed
EP-0727323-A1 Heat transfer sheet DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1996-08-21 EP disclosed
US-5304528-A With sublimable dye having two chromophores; high density, storage stability, colorfastness DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1994-04-19 US disclosed
EP-0582324-A1 Heat transfer sheet DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1994-02-09 EP disclosed
US-5223476-A HEAT TRANSFER SHEET DAI NIPPON INSATSU KABUSHIKI KAISHA (JP) 1993-06-29 US disclosed