SCHEMBL27677261

SCHEMBL27677261

CCCc1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1CCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR84 Q9NQS5 1/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP1B1 Q16678 1/20 0.36
CYP1A2 P05177 2/20 0.36
HTR2A P28223 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2A6 P11509 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HBB P68871 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL1023150 0.85 TLR8 (0.43) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL2280380 0.85 TLR8 (0.43) ALDH1A1GAAHPGDKDM4EATM
SCHEMBL6656073 0.84 MAPT (0.44) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL6659847 0.84 MAPT (0.44) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL28162721 0.84 MAPT (0.44) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL6655041 0.84 MAPT (0.44) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL11375368 0.83 TLR8 (0.44) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL10452003 0.82 MAPT (0.45) ALDH1A1GAAHPGDKDM4EHSD17B10
SCHEMBL11385143 0.82 TLR8 (0.43) ALDH1A1GAAHPGDKDM4EHSD17B10
Bromide SCHEMBL27710135 0.82 TLR8 (0.43) ALDH1A1GAAHPGDKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1922123-B Polyacene compound and organic semiconductor thin film ASAHI KASEI FIBERS CORPERATION 2010-05-05 CN disclosed
CN-1922123-A Polyacene compound and organic semiconductor thin film ASAHI CHEMICAL CORP (JP) 2007-02-28 CN disclosed