SCHEMBL11416005

SCHEMBL11416005

COC(=O)C(OC)OC(OC)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
CA14 Q9ULX7 2/20 0.37
ALDH1A1 P00352 2/20 0.35
CA12 O43570 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ZDHHC7 Q9NXF8 1/20 0.31
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL176754 0.88
SCHEMBL8902179 0.87 SMN1; SMN2 (0.41) SMN1; SMN2CA14ALDH1A1CA12KMT2A
SCHEMBL14982145 0.86 ALDH1A1 (0.38) SMN1; SMN2CA14ALDH1A1TSHR
SCHEMBL14586727 0.76 ALDH1A1 (0.43) SMN1; SMN2CA14ALDH1A1CA12KMT2A
SCHEMBL7869814 0.76 ZDHHC7 (0.41) SMN1; SMN2CA14ALDH1A1CA12KMT2A
SCHEMBL18736546 0.74 MGAM (0.39) SMN1; SMN2CA14ALDH1A1CA12KMT2A
SCHEMBL11416627 0.73 SLC1A3 (0.40) TSHR
SCHEMBL10782276 0.72 SMN1; SMN2 (0.36) SMN1; SMN2CA14KMT2ATSHR
SCHEMBL17075389 0.72 TSHR (0.46) SMN1; SMN2CA14ALDH1A1KMT2ACA1
SCHEMBL9885889 0.69 SMN1; SMN2 (0.55) SMN1; SMN2CA14ALDH1A1CA12KMT2A

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-4182900-A Ether dicarboxylates MONSANTO COMPANY (US) 1980-01-08 US disclosed