SCHEMBL8740795

SCHEMBL8740795

NCCS(=O)(=O)OCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 2/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 1/20 0.34
SLC6A6 P31641 1/20 0.34
CYP2C19 P33261 1/20 0.34
BLM P54132 1/20 0.34
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL5328947 0.87 LMNA (0.40) TSHRLMNASLC6A6CYP2C19BLM
SCHEMBL28507033 0.85 LMNA (0.39) TSHRLMNASLC6A6CYP2C19BLM
SCHEMBL8006337 0.84 TSHR (0.35) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL28469269 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL31576767 0.83 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9098826 0.80 MEN1 (0.45) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8529398 0.80 MEN1 (0.45) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8527487 0.77 MEN1 (0.50) MEN1KMT2ATSHRMAPK1LMNA
Taurine SCHEMBL8740794 0.77 LMNA (0.64) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL1638488 0.75 LMNA (0.39) LMNASLC6A6CYP2C19BLMALDH1A1

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-5700612-A PEELABLE TRANSFER LAYER CONTAINING RESIN CAPABLE OF BEING REMOVED UPON CHEMICAL TREATMENT FUJI PHOTO FILM CO., LTD. (JP) 1997-12-23 US disclosed