SCHEMBL31662343

SCHEMBL31662343

COC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)c2c(cnn2COCC[Si](C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 5/20 0.34
MAPT P10636 4/20 0.32
HPGDS O60760 2/20 0.32
PDE4D Q08499 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TSHR P16473 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
GLA P06280 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
MAPK14 Q16539 1/20 0.31
KDM4E B2RXH2 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
CPT1A P50416 1/20 0.30
LRRK2 Q5S007 1/20 0.30
MEN1 O00255 1/20 0.30
ADRB2 P07550 1/20 0.30

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
SCHEMBL31662620 0.86 CD38 (0.40) MAPTHPGDSPDE4DALDH1A1TSHR
SCHEMBL31662574 0.83 DGAT1 (0.37) DGAT1MAPTALDH1A1TSHRKMT2A
SCHEMBL31662372 0.79 IRAK4 (0.33) DGAT1
SCHEMBL31662578 0.78 CD38 (0.37) HPGDSPDE4DALDH1A1KMT2AMAPK14
SCHEMBL31662235 0.78 CD38 (0.39) HPGDSPDE4DMAPK14
SCHEMBL31662467 0.78 CD38 (0.37) HPGDSPDE4DMAPK14
SCHEMBL31662072 0.77 SCN9A (0.39) PDE4DMAPK14
SCHEMBL31662413 0.77 CD38 (0.39) MAPTHPGDSPDE4DALDH1A1KMT2A
SCHEMBL31662611 0.75 PDE4B (0.36) MAPTKMT2ANPSR1MEN1
SCHEMBL31662006 0.75 GCK (0.43) ALDH1A1KMT2ASMN1; SMN2HPGDLRRK2

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