SCHEMBL11219331

SCHEMBL11219331

COc1cc(CC([NH])=O)ccc1OCS(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.53
LMNA P02545 3/20 0.45
HTT P42858 3/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 5/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LDHA P00338 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
PPARA Q07869 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL4680947 0.83 LMNA (0.59) CA5ALMNAHTTNPC1GAA
SCHEMBL11214407 0.81 LMNA (0.51) CA5ALMNAHTTNPC1GAA
SCHEMBL11217489 0.80 MEN1 (0.56) CA5ALMNAHTTNPC1GAA
SCHEMBL1031036 0.74 ALDH1A1 (0.73) LMNAGAAALDH1A1TSHRNFKB1
SCHEMBL11218208 0.74 ADRB2 (0.38) LMNAHTTNPC1MAPTSMN1; SMN2
SCHEMBL30859524 0.70 LMNA (0.63) CA5ALMNAHTTNPC1GAA
SCHEMBL11187045 0.70 LMNA (0.63) CA5ALMNAHTTNPC1GAA
SCHEMBL4684377 0.70 PTPN11 (0.49) HPGDALDH1A1PPARA
SCHEMBL17938794 0.70 CA5A (1.00) CA5ALMNAHTTNPC1GAA
SCHEMBL3527450 0.69 CA5A (0.64) CA5AGAAMAPTALDH1A1TSHR

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
US-4329454-A Cephalosporin compounds ELI LILLY AND COMPANY (US) 1982-05-11 US disclosed