SCHEMBL8729643

SCHEMBL8729643

CCCOc1cc(N2C(=O)C=CC2=O)c(OCCC)cc1Cc1cc(OCCC)c(N2C(=O)C=CC2=O)cc1OCCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 3/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ CACNA1B Q00975 1/20 0.42
▸ APBA1 Q02410 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ APOBEC3G Q9HC16 1/20 0.42
▸ MGLL Q99685 6/20 0.40
▸ TLR9 Q9NR96 2/20 0.36
▸ G6PD P11413 1/20 0.36
▸ PPOX P50336 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ATM Q13315 2/20 0.31

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
SCHEMBL8732483 0.93 MAPT (0.41) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL8728920 0.88 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL8732195 0.81 MAPT (0.51) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL8728884 0.78 MAPT (0.63) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL8733735 0.77 MAPT (0.43) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL9839202 0.75 TLR9 (0.44) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL8854696 0.72 MGLL (0.37) ALDH1A1MAPTMAPK1HSP90AA1MGLL
SCHEMBL9838856 0.68 MEN1 (0.46) ALDH1A1MAPTMAPK1HSP90AA1PKM
SCHEMBL10890923 0.67 G6PD (0.45) ALDH1A1MAPTMAPK1MGLLTLR9
SCHEMBL8732387 0.65 MGLL (0.53) ALDH1A1MAPTMAPK1HSP90AA1PKM

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
Send feedback