SCHEMBL6662689

SCHEMBL6662689

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 3/20 0.36
PTPN1 P18031 1/20 0.35
MAPT P10636 2/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
LMNA P02545 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
MMP1 P03956 3/20 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
SCHEMBL29370267 1.00 ACLY (0.36) ACLYPTPN1MAPTPOLBCYP2C9
Trifluoromethanesulfonic Acid SCHEMBL115111 0.90 ACLY (0.39) ACLYPTPN1MAPTPOLBCYP2C9
Trifluoromethanesulfonic Acid SCHEMBL31289639 0.90 ACLY (0.39) ACLYPTPN1MAPTPOLBCYP2C9
SCHEMBL3189029 0.86 PTPN1 (0.44) ACLYPTPN1MAPTPOLBCYP2C9
SCHEMBL30440133 0.84 POLB (0.43) ACLYPTPN1MAPTPOLBCYP2C9
SCHEMBL7708752 0.81 ALDH1A1 (0.45) POLBCA1CA2MMP1MMP2
SCHEMBL7702924 0.81 PSEN1 (0.45) PTPN1CYP2C9CYP2C19NPSR1PSEN1
SCHEMBL6658029 0.81 CNR2 (0.33) ACLYPTPN1MAPTPOLBCYP2C9
SCHEMBL7708197 0.81 CA1 (0.31) CA1CA2MMP1MMP2MMP9
SCHEMBL2634332 0.81 PTGDR2 (0.37) MAPTCYP2C9CYP2C19LMNACA1

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