SCHEMBL11266633

SCHEMBL11266633

O=C(NCCC(=O)N1CC1)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
HTT P42858 1/20 0.61
LMNA P02545 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SIGMAR1 Q99720 1/20 0.55
TGM2 P21980 1/20 0.51
PREP P48147 2/20 0.51
TPSAB1 Q15661 2/20 0.51
TPSD1 Q9BZJ3 2/20 0.51
TPSG1 Q9NRR2 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP7 Q9UHL4 2/20 0.50
KEAP1 Q14145 2/20 0.50
NFE2L2 Q16236 2/20 0.50
DPP4 P27487 1/20 0.49
DPP9 Q86TI2 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL7685914 1.00 GAA (0.67) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL30500954 0.92 GAA (0.69) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL24658483 0.91 GAA (0.61) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL11266194 0.89 HTT (0.63) GAAHTTLMNASMN1; SMN2SIGMAR1
SCHEMBL18152298 0.88 HTT (0.65) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL14295143 0.87 HTT (0.67) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL11263011 0.85 PREP (0.59) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL7159251 0.85 PREP (0.59) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL7298280 0.84 SIGMAR1 (0.63) GAAHTTLMNASMN1; SMN2MEN1
SCHEMBL9222804 0.84 GAA (0.52) GAAHTTLMNASMN1; SMN2MEN1

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-0013790-B1 CLAVULANIC ACID DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1982-09-22 EP disclosed
EP-0013790-A1 Clavulanic acid derivatives, their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1980-08-06 EP disclosed