SCHEMBL31662620

SCHEMBL31662620

COC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2c(cnn2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CD38 P28907 1/20 0.40
MAPT P10636 3/20 0.37
HPGDS O60760 2/20 0.36
PDE4D Q08499 1/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
GLA P06280 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
MAPK14 Q16539 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
WNT1 P04628 1/20 0.34

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
SCHEMBL31662578 0.91 CD38 (0.37) CD38HPGDSPDE4DALDH1A1KMT2A
SCHEMBL31662235 0.90 CD38 (0.39) CD38HPGDSPDE4DHRH3MAPK14
SCHEMBL31662072 0.90 SCN9A (0.39) CD38PDE4DHRH3MAPK14
SCHEMBL31662467 0.90 CD38 (0.37) CD38HPGDSPDE4DHRH3MAPK14
SCHEMBL31662006 0.87 GCK (0.43) ALDH1A1KMT2AMEN1HRH3SMN1; SMN2
SCHEMBL31662343 0.86 DGAT1 (0.34) MAPTHPGDSPDE4DRAB9AALDH1A1
SCHEMBL31662085 0.85 SCN9A (0.38) CD38HPGDSPDE4DHRH3
SCHEMBL31661893 0.85 SCN9A (0.38) CD38HPGDSPDE4DHRH3
SCHEMBL31662457 0.83 CD38 (0.34) CD38ALDH1A1HRH3MAPK14SMN1; SMN2
SCHEMBL31662230 0.83 CD38 (0.34) CD38ALDH1A1HRH3MAPK14LRRK2

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-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed