SCHEMBL4758896

SCHEMBL4758896

CCN(CC(C)C)C(O)=S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.52
CA1 P00915 6/20 0.52
CA2 P00918 6/20 0.52
CA9 Q16790 6/20 0.52
EHMT2 Q96KQ7 3/20 0.40
EHMT1 Q9H9B1 3/20 0.40
ABCB11 O95342 2/20 0.40
HTT P42858 2/20 0.40
GSDMD P57764 2/20 0.40
CA4 P22748 2/20 0.40
CYP2E1 P05181 1/20 0.40
PTGS1 P23219 1/20 0.40
MGLL Q99685 4/20 0.39
ALDH1A1 P00352 4/20 0.39
PHGDH O43175 3/20 0.39
ALDH2 P05091 3/20 0.39
KMT2A Q03164 2/20 0.39
PLIN1 O60240 1/20 0.39
GMNN O75496 1/20 0.39
TRPA1 O75762 1/20 0.39

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
SCHEMBL4758767 0.88 CA12 (0.42) CA12CA1CA2CA9EHMT2
SCHEMBL1828127 0.87 CA12 (0.59) CA12CA1CA2CA9ALDH1A1
SCHEMBL2923512 0.80 CA12 (0.52) CA12CA1CA2CA9KMT2A
SCHEMBL3773495 0.78 CA12 (0.50) CA12CA1CA2CA9KMT2A
Ammonia Solution, Strong SCHEMBL28593728 0.78 CA12 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL8935586 0.78 CA12 (0.50) CA12CA1CA2CA9KMT2A
SCHEMBL689792 0.78
SCHEMBL8935573 0.76 ALDH1A1 (0.65) CA12CA1CA2CA9EHMT2
Ammonia Solution, Strong SCHEMBL5692536 0.75
SCHEMBL138259 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150209801-A1 MONOTHIOPHOSPHATE CONTAINING COLLECTORS AND METHODS TEEBEE HOLDINGS PTY LTD (AU) 2015-07-30 US claimed
WO-2014012139-A1 MONOTHIOPHOSPHATE CONTAINING COLLECTORS AND METHODS TEEBEE HOLDINGS PTY LTD (AU) 2014-01-23 WO claimed
WO-2008019451-A1 COLLECTORS AND FLOTATION METHODS AB TALL (HOLDINGS) PTY LTD (AU) 2008-02-21 WO claimed
US-20150209801-A1 MONOTHIOPHOSPHATE CONTAINING COLLECTORS AND METHODS TEEBEE HOLDINGS PTY LTD (AU) 2015-07-30 US disclosed
WO-2014012139-A1 MONOTHIOPHOSPHATE CONTAINING COLLECTORS AND METHODS TEEBEE HOLDINGS PTY LTD (AU) 2014-01-23 WO disclosed
WO-2008019451-A1 COLLECTORS AND FLOTATION METHODS AB TALL (HOLDINGS) PTY LTD (AU) 2008-02-21 WO disclosed
WO-1999031988-A1 PLANT GROWTH REGULATION CELGENE CORPORATION (US) 1999-07-01 WO disclosed