SCHEMBL20860908

SCHEMBL20860908

COC(=O)c1ccc(O)c(CCS)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
CA12 O43570 3/20 0.59
CA7 P43166 3/20 0.59
CA9 Q16790 3/20 0.59
CA14 Q9ULX7 3/20 0.59
XDH P47989 2/20 0.59
ALDH1A1 P00352 3/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
TP53 P04637 2/20 0.58
ALOX15 P16050 2/20 0.58
ALOX12 P18054 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
CKS1B P61024 1/20 0.58
SKP2 Q13309 1/20 0.58
HIF1A Q16665 1/20 0.58

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
SCHEMBL30232935 0.85 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL542559 0.85 CA1 (0.61) CA1CA2CA12CA7CA9
SCHEMBL8230251 0.83 CA1 (0.67) CA1CA2CA12CA7CA9
SCHEMBL10366045 0.83 CA1 (0.57) CA1CA2CA12CA7CA9
SCHEMBL8387915 0.82 CA2 (0.61) CA1CA2CA12CA7CA9
SCHEMBL2772279 0.81 PKM (0.66) CA1CA2CA12CA7CA9
Formaldehyde SCHEMBL11414726 0.81 ALDH1A1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL10680744 0.81 ALDH1A1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL879841 0.81 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL10907964 0.80 ALDH1A1 (0.55) CA1CA2CA12CA7CA9

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
EP-1624002-B1 SUPERABSORBENT POLYMER PARTICLES COMPRISING FUNCTIONALIZERS AND METHOD OF MAKING THEM PROCTER & GAMBLE (US) 2019-04-03 EP disclosed