SCHEMBL22901598

SCHEMBL22901598

CCCC(C(C)=N)C(CCC)C(=N)c1ccc(CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
ALDH1A1 P00352 3/20 0.39
NQO2 P16083 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 2/20 0.36
PLK1 P53350 1/20 0.36
PRSS1 P07477 2/20 0.33
TMPRSS15 P98073 1/20 0.33
LPL P06858 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
F2 P00734 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PLAT P00750 1/20 0.31
KLKB1 P03952 1/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL21078167 0.71 TAS1R3 (0.49) TAS1R3TAS1R1ALDH1A1SMN1; SMN2PLK1
SCHEMBL23965631 0.71 ALDH1A1 (0.47) TAS1R3TAS1R1ALDH1A1NQO2SMN1; SMN2
SCHEMBL10308978 0.69 ALDH1A1 (0.54) TAS1R3TAS1R1ALDH1A1NQO2SMN1; SMN2
SCHEMBL25709673 0.69 ALDH1A1 (0.45) TAS1R3TAS1R1ALDH1A1NQO2SMN1; SMN2
SCHEMBL20662852 0.68 TAS1R3 (0.66) TAS1R3TAS1R1ALDH1A1SMN1; SMN2IDO1
SCHEMBL6485939 0.67 ALDH1A1 (0.56) TAS1R3TAS1R1ALDH1A1NQO2SMN1; SMN2
SCHEMBL2514070 0.65 ALDH1A1 (0.58) TAS1R3TAS1R1ALDH1A1SMN1; SMN2IDO1
SCHEMBL1696572 0.64 PRSS1 (0.64) ALDH1A1NQO2SMN1; SMN2IDO1PRSS1
SCHEMBL13944771 0.64 ALDH1A1 (0.52) TAS1R3TAS1R1ALDH1A1NQO2SMN1; SMN2
Hydrochloric Acid SCHEMBL11567719 0.62 PRSS1 (0.61) ALDH1A1NQO2SMN1; SMN2IDO1PRSS1

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
WO-2021007654-A1 OLIGONUCLEOTIDE THERAPY FOR STARGARDT DISEASE DEEP GENOMICS INCORPORATED (CA) 2021-01-21 WO disclosed