SCHEMBL19035755

SCHEMBL19035755

CC(C)C(=S)NC(C)(C)CC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HTT P42858 1/20 0.37
EPHX1 P07099 2/20 0.34
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL24860391 0.80
SCHEMBL15150935 0.74 POLB (0.41) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL15679321 0.73 POLB (0.40) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL9891903 0.73 POLB (0.44) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL2600360 0.72 MEN1 (0.50) POLBHTTEPHX1MEN1KMT2A
SCHEMBL5525065 0.71 POLB (0.39) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL28355392 0.71 POLB (0.39) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL24846999 0.71 POLB (0.33) POLBHTTEPHX1
SCHEMBL10488605 0.68 POLB (0.44) POLBHTTEPHX1MEN1ALDH1A1
SCHEMBL28355393 0.68 POLB (0.40) POLBHTTEPHX1MEN1ALDH1A1

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-9687832-B2 Bifunctional organic catalysts OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-06-27 US disclosed