SCHEMBL18756274

SCHEMBL18756274

C=CCOC(=O)NNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
APLNR P35414 1/20 0.44
GAA P10253 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 2/20 0.37
CA2 P00918 2/20 0.37
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CTSK P43235 2/20 0.35

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
SCHEMBL1276792 0.82 TDP1 (0.49) SMN1; SMN2GAAMEN1KMT2ACA12
SCHEMBL1276827 0.80 TDP1 (0.54) SMN1; SMN2GAAMEN1KMT2ACA12
SCHEMBL2744213 0.79 APLNR (0.49) SMN1; SMN2APLNRGAAMEN1KMT2A
SCHEMBL5136229 0.79 SMN1; SMN2 (0.50) SMN1; SMN2GAAMEN1KMT2ACA12
SCHEMBL4756453 0.78 APLNR (0.51) SMN1; SMN2APLNRGAAMEN1KMT2A
SCHEMBL23629625 0.77 NAMPT (0.50) SMN1; SMN2MEN1KMT2AMAPK1CA12
SCHEMBL25657888 0.77 ADRB2 (0.44) SMN1; SMN2GAAMEN1KMT2ACA12
SCHEMBL29720151 0.77 TDP1 (0.48) SMN1; SMN2GAAMEN1KMT2ACA12
SCHEMBL284141 0.77 APLNR (0.55) APLNRGAAMEN1KMT2AMAPK1
SCHEMBL10360743 0.76 MEN1 (0.40) SMN1; SMN2MEN1KMT2AMAPK1TSHR

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
CN-106414473-B Polyene macrolide derivatives 盐野义制药株式会社 2020-03-13 CN disclosed
EP-3156410-A1 POLYENE MACROLIDE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2017-04-19 EP disclosed