SCHEMBL25811879

SCHEMBL25811879

C=CCOc1ccc(-c2ccc(OC(=O)C=C)cc2)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.48
GAA P10253 4/20 0.48
SI P14410 4/20 0.48
MGAM2 Q2M2H8 4/20 0.48
ALDH1A1 P00352 1/20 0.47
PTPN1 P18031 3/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FLT3 P36888 1/20 0.43
THRB P10828 2/20 0.42
ERN1 O75460 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
ALDH2 P05091 1/20 0.41
BACE1 P56817 1/20 0.39

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
SCHEMBL18806057 0.88 THRB (0.45) ALDH1A1MAPTSMN1; SMN2THRBERN1
SCHEMBL22353015 0.87 CYP1A2 (0.51) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL22173894 0.84 KDM4E (0.46) ALDH1A1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL24159378 0.81 MEN1 (0.44) MGAMGAASIMGAM2MEN1
SCHEMBL21589321 0.81 THRB (0.41) ALDH1A1MAPTSMN1; SMN2THRBERN1
SCHEMBL18411564 0.80 ELANE (0.42) ALDH1A1MAPTTHRBERN1KDM4E
SCHEMBL18308845 0.80 BACE1 (0.42) ALDH1A1MAPTKMT2ASMN1; SMN2THRB
SCHEMBL19724336 0.79 THRB (0.50) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL22459698 0.79 THRB (0.39) ALDH1A1MAPTKMT2ASMN1; SMN2THRB
SCHEMBL22459362 0.78 THRB (0.37) MEN1LMNAMAPTKMT2ASMN1; SMN2

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
EP-4209567-A1 LIQUID-CRYSTAL MEDIUM Merck Patent GmbH (DE) 2023-07-12 EP disclosed