SCHEMBL22471906

SCHEMBL22471906

CCCCOCCOC(CC(=O)OCC)C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 3/20 0.37
ALOX15 P16050 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
TSHR P16473 5/20 0.36
TDP1 Q9NUW8 1/20 0.35
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
MAPT P10636 3/20 0.34
CYP2D6 P10635 1/20 0.34
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL11519892 0.88 ALDH1A1 (0.39) ALDH1A1CYP3A4HSD17B10TSHRMAPT
SCHEMBL9656157 0.87 ALDH1A1 (0.42) ALDH1A1CYP3A4HSD17B10ALOX15CHRM1
SCHEMBL27825817 0.80 ALDH1A1 (0.39) ALDH1A1TSHRTDP1CYP2D6ATM
SCHEMBL15133375 0.80 NAAA (0.50) TSHRMAPTMEN1THRBHTT
SCHEMBL9622120 0.78 NAAA (0.46) ALDH1A1CYP3A4TSHRTDP1MAPT
SCHEMBL8336122 0.78 AKR1B1 (0.38) ALDH1A1HSD17B10ALOX15TSHRTDP1
SCHEMBL7595666 0.78 ALDH1A1 (0.40) ALDH1A1CYP3A4HSD17B10ALOX15CHRM1
SCHEMBL4984393 0.77 MGAM (0.46) ALDH1A1CYP3A4HSD17B10ALOX15CHRM1
SCHEMBL27769359 0.77 NAAA (0.44) ALDH1A1TSHRTDP1MAPTATM
SCHEMBL8090817 0.75 MEN1 (0.44) ALDH1A1CYP3A4TSHRTDP1MAPT

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-2020195443-A1 PRODUCTION METHOD FOR LAYERED PRODUCT 信越化学工業株式会社 2020-10-01 WO disclosed