SCHEMBL9196824

SCHEMBL9196824

CCOC(=O)C(C)OC(=O)Oc1ccnc(OC(=O)OC(C)C(=O)OCC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.37
ACACB O00763 3/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
KMT2A Q03164 6/20 0.34
MEN1 O00255 4/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 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
SCHEMBL9192118 0.86 HCRTR1 (0.33) L3MBTL1ACACBALDH1A1TDP1HCRTR1
SCHEMBL19664384 0.84 KMT2A (0.45) L3MBTL1LMNANOS1NOS2KMT2A
SCHEMBL19664383 0.82 ACACB (0.36) L3MBTL1ACACBKMT2AMEN1NPC1
SCHEMBL9197151 0.80 LMNA (0.41) L3MBTL1LMNATSHRACACBKMT2A
SCHEMBL9568958 0.77 AAK1 (0.38) ACACBNOS1NOS2KMT2AMEN1
SCHEMBL14342283 0.76 L3MBTL1 (0.50) L3MBTL1LMNATSHRKMT2AMEN1
SCHEMBL9199729 0.76 ALDH1A1 (0.38) L3MBTL1LMNATSHRACACBKMT2A
SCHEMBL12150066 0.75 CCNC (0.53) LMNAKMT2AMEN1POLBNPC1
SCHEMBL19664382 0.73 TDP1 (0.36) L3MBTL1LMNAACACBKMT2AMEN1
SCHEMBL9663046 0.72 TSHR (0.38) LMNATSHRACACBNOS2KMT2A

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