SCHEMBL19590924

SCHEMBL19590924

COc1ccc(-c2ccc(CCN3C(=O)CCCC3=O)o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 2/20 0.54
ABCB1 P08183 2/20 0.47
PIN1 Q13526 1/20 0.43
PDE4B Q07343 2/20 0.43
PDE4D Q08499 2/20 0.43
POLB P06746 1/20 0.41
EGFR P00533 1/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
ACHE P22303 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL19588483 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EMAPTPKMPIN1
SCHEMBL19590925 0.83 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTPKMPIN1
SCHEMBL19590922 0.80 PIN1 (0.43) ALDH1A1KDM4EMAPTPKMPIN1
SCHEMBL28967239 0.77 GSK3A (0.64) ALDH1A1MAPTPOLBGSK3AGSK3B
SCHEMBL19588479 0.74 NPC1 (0.45) ALDH1A1MAPTPKMPOLBCYP2D6
SCHEMBL13680867 0.72 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPKMABCB1
SCHEMBL18177326 0.70 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTPKMPOLB
SCHEMBL40778 0.70 CMA1 (0.66) ALDH1A1KDM4EMAPTGSK3AGSK3B
SCHEMBL805155 0.70 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTPKMABCB1
SCHEMBL17525703 0.69 HRH3 (0.39) PDE4BPOLBMEN1KMT2A

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-9815814-B2 Glutarimide derivatives, use thereof, pharmaceutical composition based thereon and methods for producing glutarimide derivatives Obschestvo S Ogranichennoi Otvetstvennostiyu “Pharmenterprises” (RU) 2017-11-14 US disclosed