SCHEMBL19976050

SCHEMBL19976050

CC1CC(NC(=O)OC(C)(C)C)CC(C)(C)C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
BTK Q06187 1/20 0.47
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
PPP1CA P62136 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
CTSK P43235 2/20 0.40
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL15542171 0.84 BTK (0.47) ALDH1A1BTKCTSKMEN1MAPK1
SCHEMBL15542403 0.84 BTK (0.47) ALDH1A1BTKCTSKMEN1MAPK1
SCHEMBL15542401 0.84 BTK (0.47) ALDH1A1BTKCTSKMEN1MAPK1
SCHEMBL15542169 0.84 BTK (0.47) ALDH1A1BTKCTSKMEN1MAPK1
SCHEMBL15542168 0.84 BTK (0.47) ALDH1A1BTKCTSKMEN1MAPK1
SCHEMBL9343577 0.83 ALDH1A1 (0.58) ALDH1A1HTTLMNAPPP1CATDP1
SCHEMBL15542263 0.82 BTK (0.44) BTKCTSKMEN1MAPK1KMT2A
SCHEMBL15542261 0.82 BTK (0.44) BTKCTSKMEN1MAPK1KMT2A
SCHEMBL15542266 0.82 BTK (0.44) BTKCTSKMEN1MAPK1KMT2A
SCHEMBL12030066 0.81 BTK (0.56) BTKCTSKMEN1MAPK1KMT2A

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-9921340-B2 Water-processable silicone-containing prepolymers and uses thereof NOVARTIS AG (CH) 2018-03-20 US disclosed