SCHEMBL8644648

SCHEMBL8644648

CC(C)(C)OC(=O)COc1cccc([S+](c2ccccc2)c2cccc(OCC(=O)OC(C)(C)C)c2)c1.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.40
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 2/20 0.35
ACLY P53396 2/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL3200027 0.93 PTPN1 (0.40) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8645071 0.91 PTPN1 (0.46) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8645334 0.91 PSEN1 (0.36) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8319585 0.90 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3191604 0.88 MAPT (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8323037 0.87 PSEN1 (0.42) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8318359 0.87 MAPT (0.45) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3204744 0.87 PTPN1 (0.39) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3193657 0.86 MAPT (0.41) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL3203229 0.86 PTPN1 (0.39) PTPN1PSEN1PSEN2APH1BNCSTN

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-5824824-A AROMATIC SULFONATE ANIONS AND DISSOLUTION CONTRAST IN EXPOSED AND NONEXPOSED AREAS, POSITIVE RESISTS SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-10-20 US disclosed