SCHEMBL9199754

SCHEMBL9199754

CCOCCOC(=O)Oc1ccc(OC(=O)OCCOCC)nc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 7/20 0.40
MMP13 P45452 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPT P10636 2/20 0.38
KMT2A Q03164 1/20 0.37
THRA P10827 1/20 0.37
LMNA P02545 1/20 0.37
ACACA Q13085 4/20 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
SCHEMBL19664385 0.86 KMT2A (0.43) ACACBL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL5132689 0.85 MAPT (0.48) ACACBL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL9191894 0.85 TSHR (0.39) ACACBTSHRMAPTKMT2AACACA
SCHEMBL11277376 0.79 MAPT (0.53) ACACBL3MBTL1MAPTKMT2ALMNA
SCHEMBL9199729 0.79 ALDH1A1 (0.38) ACACBL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL15899401 0.77 LMNA (0.47) L3MBTL1ALDH1A1TSHRMAPTKMT2A
SCHEMBL16732335 0.76 LMNA (0.46) L3MBTL1ALDH1A1TSHRMAPTKMT2A
SCHEMBL1228643 0.75 ALDH1A1 (0.46) ALDH1A1TSHRMAPTKMT2ALMNA
SCHEMBL9197151 0.75 LMNA (0.41) ACACBL3MBTL1ALDH1A1TSHRMAPT
SCHEMBL8096967 0.75 ACACB (0.42) ACACBKMT2ALMNAACACA

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-0278452-B1 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AG (DE) 1995-05-24 EP disclosed
EP-0278452-A2 2,4- and 2,5-Pyridine-dicarboxylic-acid derivatives, process for their preparation, their use and medicines based on these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-17 EP disclosed