SCHEMBL31662399

SCHEMBL31662399

COC(=O)c1cc2c(cc1Oc1ccc(OCCOC3CCOCC3)cc1)N(C)C(=O)C2=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.39
CHRM5 P08912 3/20 0.35
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RCE1 Q9Y256 1/20 0.34
PPARG P37231 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
RORC P51449 1/20 0.32
ESR2 Q92731 1/20 0.32
LIPG Q9Y5X9 1/20 0.32
CASP7 P55210 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL31662446 0.91 ALDH1A1 (0.35) CASP3CHRM5ALDH1A1MAPTMEN1
SCHEMBL31662418 0.90 PARP1 (0.35) CASP3CHRM5ALDH1A1MAPTMEN1
SCHEMBL31662770 0.78 CD38 (0.36) MAPTRORCOPRK1
SCHEMBL31662611 0.76 PDE4B (0.36) MAPTMEN1KMT2ARORCOPRK1
SCHEMBL17888595 0.75 MAPT (0.44) ALDH1A1MAPTMEN1KMT2ATDP1
SCHEMBL31662261 0.75 MAPT (0.34) MAPTTDP1RORCESR2OPRK1
SCHEMBL31662303 0.75 CHEK1 (0.39) MAPTRORC
SCHEMBL31662302 0.75 CHEK1 (0.39) MAPTRORC
SCHEMBL31662238 0.75 CYP1A2 (0.33) ALDH1A1MAPTKMT2APOLBLMNA
SCHEMBL31662538 0.74 OPRK1 (0.33) MAPTRORCESR2OPRK1

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