SCHEMBL9999540

SCHEMBL9999540

Cc1ccccc1OCC1COC(=O)O1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.64
GLA P06280 1/20 0.64
PKM P14618 1/20 0.59
CYP2C19 P33261 1/20 0.44
NPC1 O15118 3/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
GRM2 Q14416 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CYP2D6 P10635 4/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A4 P31645 4/20 0.38
SLC6A3 Q01959 2/20 0.38
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37

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
SCHEMBL27421347 0.87 ADRB2 (0.50) ALDH1A1GLAPKMNPC1KDM4E
SCHEMBL29930334 0.87 ADRA2C (0.50) ALDH1A1GLAPKMCYP2C19KDM4E
SCHEMBL10570888 0.87 ADRA2C (0.50) ALDH1A1GLAPKMCYP2C19KDM4E
SCHEMBL10816325 0.82 ALDH1A1 (0.64) ALDH1A1GLAPKMCYP2C19KDM4E
SCHEMBL14894988 0.81 PDK1 (0.46) ALDH1A1GLAPKMRAB9AKDM4E
SCHEMBL9303749 0.81 PDK1 (0.46) ALDH1A1GLAPKMRAB9AKDM4E
SCHEMBL1324044 0.80 TDP1 (0.61) ALDH1A1PKMHPGDTSHRGRM2
SCHEMBL27421341 0.79 ADRA1D (0.47) ALDH1A1CYP2C19KDM4ETSHRMEN1
SCHEMBL2525751 0.79 ALDH1A1 (1.00) ALDH1A1GLAPKMCYP2C19NPC1
SCHEMBL2527037 0.79 ALDH1A1 (1.00) ALDH1A1GLAPKMCYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111218027-A Preparation method and application of super-crosslinked polymer synthesized by using waste foamed polystyrene 华侨大学 2020-06-02 CN claimed
CN-110961152-A Preparation method of imidazolium salt functionalized walnut shell powder heterogeneous catalyst and synthesis method of cyclic carbonate based on catalyst 华侨大学 2020-04-07 CN claimed
CN-111234242-B Preparation method and application of rosin-based hyperbranched cross-linked polymer catalyst 华侨大学 2021-08-03 CN disclosed
CN-111234242-A Preparation method and application of rosin-based hyperbranched cross-linked polymer catalyst 华侨大学 2020-06-05 CN disclosed
CN-111218027-A Preparation method and application of super-crosslinked polymer synthesized by using waste foamed polystyrene 华侨大学 2020-06-02 CN disclosed
CN-110961152-A Preparation method of imidazolium salt functionalized walnut shell powder heterogeneous catalyst and synthesis method of cyclic carbonate based on catalyst 华侨大学 2020-04-07 CN disclosed
WO-2018025872-A1 LIQUID CRYSTAL DISPLAY ELEMENT EQUIPPED WITH LIQUID CRYSTAL PANEL HAVING CURVED SURFACE AND LIQUID CRYSTAL ALIGNING AGENT FOR SAME 日産化学工業株式会社 2018-02-08 WO disclosed
WO-2012014898-A1 LIQUID CRYSTAL ALIGNING AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学工業株式会社 (JP) 2012-02-02 WO disclosed