SCHEMBL11214765

SCHEMBL11214765

COc1cccc(OC)c1OCC([NH])=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 1/20 0.51
POLB P06746 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
NFE2L2 Q16236 2/20 0.45
HTT P42858 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9203434 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1POLBL3MBTL1LMNA
SCHEMBL6744642 0.83 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL11214768 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL9503715 0.81 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL1327130 0.77 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL29620411 0.77 L3MBTL1 (0.58) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL31150659 0.75 NPC1 (0.60) SMN1; SMN2ALDH1A1POLBL3MBTL1LMNA
SCHEMBL5664569 0.75 CA12 (0.50) SMN1; SMN2ALDH1A1LMNAMAPTCA12
SCHEMBL2087969 0.74 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA
SCHEMBL2087971 0.74 SMN1; SMN2 (0.65) SMN1; SMN2ALDH1A1POLBL3MBTL1GAA

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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 US disclosed