SCHEMBL3961525

SCHEMBL3961525

CC(=NOCCCCC1COC(C)(OC(=O)O)OC1)c1cccnc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 8/20 0.44
LMNA P02545 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.40
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TBXA2R P21731 6/20 0.39
PPARG P37231 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL3962122 0.89 PPARA (0.50) LMNAHTTPPARATBXA2RPPARG
SCHEMBL3761868 0.88 TBXAS1 (0.45) TBXAS1KMT2APPARATBXA2RPPARG
SCHEMBL3761865 0.88 TBXAS1 (0.45) TBXAS1KMT2APPARATBXA2RPPARG
SCHEMBL3959737 0.88 PPARA (0.40) TBXAS1ALDH1A1KMT2APPARATBXA2R
SCHEMBL3763057 0.85 TBXAS1 (0.42) TBXAS1LMNAALDH1A1HTTKMT2A
SCHEMBL3961592 0.83 PPARA (0.42) LMNAALDH1A1PPARASMN1; SMN2PPARG
SCHEMBL3962164 0.83 PPARA (0.44) PPARAPPARG
SCHEMBL3961695 0.83 PPARA (0.41) PPARAPPARG
SCHEMBL3959581 0.83 PPARA (0.49) PPARAPPARG
SCHEMBL3960953 0.82 PSEN1 (0.43) ALDH1A1KMT2APPARAPPARG

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-1989192-B1 1,3-DIOXANE CARBOXYLIC ACIDS CADILA HEALTHCARE LTD (IN) 2009-07-22 EP claimed