SCHEMBL11568353

SCHEMBL11568353

[Li]C#CCCCCOCCCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.40
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.33
CES2 O00748 1/20 0.33
HPGD P15428 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
PTPN7 P35236 3/20 0.32
HMGCR P04035 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 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
SCHEMBL11569298 0.98 HTT (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL11569164 0.98 HTT (0.43) TSHRMEN1THRBHTTKMT2A
SCHEMBL28225664 0.83 MEN1 (0.50) TSHRMEN1THRBHTTKMT2A
SCHEMBL9717336 0.81 MEN1 (0.54) TSHRMEN1THRBHTTKMT2A
SCHEMBL11255913 0.80
SCHEMBL7572259 0.78
SCHEMBL11658732 0.78 PTPN7 (0.48) TSHRMEN1THRBKMT2AMAPT
SCHEMBL8551377 0.78 PTPN7 (0.48) TSHRMEN1THRBKMT2AMAPT
SCHEMBL8030954 0.78 PTPN7 (0.48) TSHRMEN1THRBKMT2AMAPT
SCHEMBL9732267 0.78 PTPN7 (0.48) TSHRMEN1THRBKMT2AMAPT

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-4175201-A Chemical synthesis UNIVERSITY OF CHICAGO (US) 1979-11-20 US disclosed
US-4018820-A Chemical synthesis THE UNIVERSITY OF CHICAGO (US) 1977-04-19 US disclosed