SCHEMBL7750276

SCHEMBL7750276

COC(=O)C(CN)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 3/20 0.39
CA12 O43570 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CA9 Q16790 3/20 0.33
CA7 P43166 1/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
PTPRB P23467 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL27653579 0.80 CA14 (0.40) CA14CA12SMN1; SMN2MEN1KMT2A
SCHEMBL28947569 0.80 CA1 (0.41) CA14CA12SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL28316002 0.78 CA1 (0.39) CA14CA12SMN1; SMN2MEN1KMT2A
SCHEMBL28316009 0.77 CA1 (0.42) CA14CA12SMN1; SMN2CA9CA7
Hydrochloric Acid SCHEMBL28317232 0.75 CA1 (0.41) CA14CA12SMN1; SMN2CA9CA7
SCHEMBL13671237 0.72 ZDHHC7 (0.53) CA14CA12CA9CA7CA1
SCHEMBL13668100 0.71 CA1 (0.38) CA14CA12CA1CA2
SCHEMBL18929976 0.71 CA14 (0.36) CA14CA12SMN1; SMN2MEN1KMT2A
SCHEMBL416460 0.70 CA1 (0.39) CA14CA12SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL7341026 0.69 CA14 (0.39) CA14CA12SMN1; SMN2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836382-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 2001-01-17 EP disclosed
EP-0836382-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1998-04-22 EP disclosed
WO-1996039829-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed