SCHEMBL9515539

SCHEMBL9515539

CCOCc1ccc(OC(=O)O)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ACACB O00763 1/20 0.36
PPARA Q07869 3/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
PPARG P37231 2/20 0.35
P4HTM Q9NXG6 1/20 0.35
LMNA P02545 1/20 0.35
FFAR1 O14842 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33

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
SCHEMBL9566746 0.84 ALDH1A1 (0.38) KMT2AMAPTCCNCCDK8PPARA
SCHEMBL9519559 0.82 P4HTM (0.49) KMT2APPARAPPARGP4HTMLMNA
SCHEMBL9319775 0.78 PDE10A (0.39) KMT2AMAPTPPARAALDH1A1PPARG
SCHEMBL9515534 0.78 MAPT (0.58) MAPTALDH1A1P4HTMHPGDCYP1A2
SCHEMBL9515811 0.77 P4HTM (0.35) KMT2AMAPTCCNCCDK8ACACB
SCHEMBL9319319 0.77 P4HTM (0.35) KMT2AMAPTCCNCCDK8ACACB
SCHEMBL10817490 0.77 GABRP (0.40) KMT2AMAPTALDH1A1P4HTMFFAR1
SCHEMBL18961357 0.76 MAPT (0.44) MAPTNPSR1ALDH1A1LMNAL3MBTL1
SCHEMBL9566853 0.76 CYSLTR2 (0.32) KMT2AMAPTCCNCCDK8ACACB
Ether SCHEMBL9580541 0.75 ELANE (0.47) KMT2AMAPTALDH1A1SMN1; SMN2RAB9A

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-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed