SCHEMBL6658029

SCHEMBL6658029

CC(C)(C)OC(=O)COc1ccccc1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])C(F)(F)C(F)(F)C1CC2CCC1C2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.33
ACLY P53396 2/20 0.32
BRS3 P32247 1/20 0.31
PTPN1 P18031 1/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
NPSR1 Q6W5P4 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
Trifluoromethanesulfonic Acid SCHEMBL31289639 0.83 ACLY (0.39) ACLYPTPN1DDB1CRBNPOLB
Trifluoromethanesulfonic Acid SCHEMBL115111 0.83 ACLY (0.39) ACLYPTPN1DDB1CRBNPOLB
SCHEMBL6662689 0.81 ACLY (0.36) ACLYPTPN1DDB1CRBNPOLB
SCHEMBL29370267 0.81 ACLY (0.36) ACLYPTPN1DDB1CRBNPOLB
SCHEMBL383093 0.79 L3MBTL1 (0.35) CNR2BRS3HPGD
SCHEMBL30440133 0.78 POLB (0.43) ACLYPTPN1DDB1CRBNPOLB
SCHEMBL678432 0.77 HSD11B1 (0.37) BRS3MAPT
SCHEMBL5649772 0.74
SCHEMBL448748 0.74 ALDH1A1 (0.33) HPGD
SCHEMBL5651472 0.74 ESR2 (0.32) HPGD

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
JP-2004317907-A RADIATION-SENSITIVE RESIN COMPOSITION JSR CORP 2004-11-11 JP disclosed