SCHEMBL30829573

SCHEMBL30829573

O=C(NCCCCCOc1ccccc1CO)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.57
HTT P42858 1/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
KEAP1 Q14145 2/20 0.52
NFE2L2 Q16236 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 1/20 0.49
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
FOLH1 Q04609 2/20 0.47
ANPEP P15144 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
DPP8 Q6V1X1 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL30829556 0.95 HTT (0.59) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL30829559 0.91 LMNA (0.63) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL30829508 0.84 TGM2 (0.58) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL30829577 0.84 HTT (0.58) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.83 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.83 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.83 HTT (0.79) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL29270738 0.81 L3MBTL1 (0.66) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.81 HTT (0.81) TGM2HTTLMNASMN1; SMN2KEAP1
SCHEMBL234271 0.80 HTT (0.70) TGM2HTTLMNASMN1; SMN2KEAP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4590673-A1 FLUORESCENT PROBES FOR MAGL F. Hoffmann-La Roche AG (CH) 2025-07-30 EP disclosed
WO-2024061853-A1 FLUORESCENT PROBES FOR MAGL F. HOFFMANN-LA ROCHE AG (CH) 2024-03-28 WO disclosed