SCHEMBL16202244

SCHEMBL16202244

CS(=O)(=O)NCCCCOCCOCCOCCOCCOCCOCCOCCO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
THRB P10828 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
EPHX2 P34913 3/20 0.47
TSHR P16473 3/20 0.42
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 4/20 0.34
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
ADRB2 P07550 1/20 0.32
ADRB3 P13945 1/20 0.32

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
SCHEMBL13056648 0.98 EPHX2 (0.48) MEN1KMT2ATHRBHTTMAPT
SCHEMBL8612225 0.84 TSHR (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4149482 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
Tetraethylene Glycol SCHEMBL4143923 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
Pentaethylene Glycol SCHEMBL28557049 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4143918 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL1627441 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
Hexaethylene Glycol SCHEMBL4154184 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4140373 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT
Triethylene Glycol SCHEMBL29198607 0.82 MEN1 (0.61) MEN1KMT2ATHRBHTTMAPT

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
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 US disclosed