SCHEMBL20201477

SCHEMBL20201477

COC(C)(c1cccs1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.34
CNR1 P21554 3/20 0.34
CNR2 P34972 3/20 0.34
APLNR P35414 1/20 0.33
RPS6KB2 Q9UBS0 2/20 0.33
CHRM3 P20309 4/20 0.32
RAF1 P04049 1/20 0.32
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ESR1 P03372 1/20 0.32
CHRM2 P08172 1/20 0.31
RGS12 O14924 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
POLB P06746 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
SCHEMBL7402820 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CNR1CNR2APLNRCHRM3
SCHEMBL12262390 0.78 SMN1; SMN2 (0.36) SMN1; SMN2CNR1CNR2APLNRRPS6KB2
SCHEMBL17976182 0.76 ESR1 (0.34) SMN1; SMN2CNR1CNR2APLNRRPS6KB2
SCHEMBL16019421 0.73 SMN1; SMN2 (0.39) SMN1; SMN2CNR1CNR2CHRM3TSHR
SCHEMBL73299 0.72
SCHEMBL94414 0.72 SMN1; SMN2 (0.41) SMN1; SMN2CNR1CNR2CHRM3TSHR
SCHEMBL13706022 0.72 CNR1 (0.47) SMN1; SMN2CNR1CNR2CHRM3TSHR
SCHEMBL12238620 0.72 SMN1; SMN2 (0.36) SMN1; SMN2CNR1CNR2APLNRCHRM3
SCHEMBL10797758 0.71 CHRM3 (0.34) SMN1; SMN2CNR1CNR2APLNRCHRM3
SCHEMBL23573882 0.70 SMN1; SMN2 (0.40) SMN1; SMN2CNR1CNR2CHRM3RAF1

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
WO-2018098206-A1 HYDANTOIN CONTAINING DEOXYURIDINE TRIPHOSPHATASE INHIBITORS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 WO disclosed