SCHEMBL8728920

SCHEMBL8728920

CCOc1cc(N2C(=O)C=CC2=O)c(OCC)cc1Cc1cc(OCC)c(N2C(=O)C=CC2=O)cc1OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ NPSR1 Q6W5P4 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ CACNA1B Q00975 2/20 0.44
▸ APBA1 Q02410 2/20 0.44
▸ PKM P14618 2/20 0.44
▸ CCR6 P51684 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ MGLL Q99685 6/20 0.42
▸ TLR9 Q9NR96 2/20 0.37
▸ G6PD P11413 1/20 0.37
▸ FAAH O00519 1/20 0.33
▸ HPGD P15428 3/20 0.33
▸ HTT P42858 3/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32

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
SCHEMBL8732195 0.92 MAPT (0.51) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL8729643 0.88 ALDH1A1 (0.42) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL8732483 0.86 MAPT (0.41) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL8728884 0.80 MAPT (0.63) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL8733735 0.79 MAPT (0.43) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL10480268 0.74 ALDH1A1 (0.46) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL9839537 0.73 TLR9 (0.46) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL3691135 0.71 MGLL (0.66) ALDH1A1MAPTPKMMGLLTLR9
SCHEMBL8732387 0.70 MGLL (0.53) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B
SCHEMBL8854756 0.70 MGLL (0.39) ALDH1A1HSP90AA1NPSR1MAPTCACNA1B

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-5725948-A POLYIMIDE FROM A BISMALEIMIDE AND A DIAMINE TOMOEGAWA PAPER CO., LTD. (JP) 1998-03-10 — — US disclosed
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