SCHEMBL8962050

SCHEMBL8962050

NCCCCCCCCCCCCCCCS(=O)(=O)O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.79
LMNA P02545 4/20 0.60
BLM P54132 3/20 0.60
SLC6A6 P31641 1/20 0.60
CYP2C19 P33261 1/20 0.60
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA3 P07451 2/20 0.44
CA4 P22748 2/20 0.44
CA6 P23280 2/20 0.44
CA5A P35218 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5B Q9Y2D0 2/20 0.44
TSHR P16473 2/20 0.44
DNM1 Q05193 1/20 0.44
PMP22 Q01453 2/20 0.43
ALDH1A1 P00352 2/20 0.40

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
SCHEMBL9387178 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL31273785 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL9386346 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL9387343 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL9390750 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL6047710 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL9387197 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL5955499 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL513074 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19
SCHEMBL513056 1.00 APP (0.79) APPLMNABLMSLC6A6CYP2C19

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994002497-A1 SULFO-DERIVATIVES OF ADENOSINE THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-03 WO claimed
US-5585472-A CATALYTIC REACTION OF ALCOHOLS WITH MONOSACCHARIDES USING ACID FORM OF AMPHOTERIC SURFACTANTS AS CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed