SCHEMBL19590925

SCHEMBL19590925

O=C1CCCC(=O)N1CCc1ccc(-c2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MAPT P10636 3/20 0.50
PKM P14618 3/20 0.50
HTT P42858 2/20 0.50
HSD17B10 Q99714 2/20 0.50
POLB P06746 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP2C19 P33261 2/20 0.45
CYP2E1 P05181 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2B6 P20813 1/20 0.45
PIN1 Q13526 3/20 0.44
HRH1 P35367 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ALKBH5 Q6P6C2 1/20 0.41
FTO Q9C0B1 1/20 0.41

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) ALDH1A1MAPTPKMHTTHSD17B10
SCHEMBL19590924 0.83 ALDH1A1 (0.54) ALDH1A1MAPTPKMHTTHSD17B10
SCHEMBL19590922 0.83 PIN1 (0.43) ALDH1A1MAPTPKMHTTHSD17B10
SCHEMBL19588479 0.76 NPC1 (0.45) ALDH1A1MAPTPKMPOLBCYP2C19
SCHEMBL9390734 0.73 KMT2A (0.62) ALDH1A1MAPTHTTHSD17B10RAB9A
SCHEMBL17525779 0.71 KDM4E (0.53) ALDH1A1MAPTPKMHTTHSD17B10
SCHEMBL17525748 0.69 RAB9A (0.73) ALDH1A1MAPTHTTCYP2C19CYP2D6
SCHEMBL17525711 0.68 DRD4 (0.50) CYP2D6PIN1HRH1LMNARAB9A
SCHEMBL4653824 0.68 CYP2C19 (0.71) ALDH1A1MAPTPKMHTTHSD17B10
SCHEMBL13543173 0.68 ALDH1A1 (0.61) ALDH1A1MAPTPKMHTTHSD17B10

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