SCHEMBL5697072

SCHEMBL5697072

N#CCCCCCCCOC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC1A2 P43004 1/20 0.33
LTB4R Q15722 1/20 0.33
NAAA Q02083 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX1 P07099 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
SCHEMBL5697295 1.00 TSHR (0.35) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL5696927 1.00 TSHR (0.35) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1960567 1.00 TSHR (0.35) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1960444 0.98 MEN1 (0.34) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL4954535 0.91 MEN1 (0.35) TSHRALDH1A1MEN1KMT2ASLC1A2
SCHEMBL1958158 0.91
SCHEMBL28662289 0.84 TSHR (0.37) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL28670236 0.84 TSHR (0.37) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL22557957 0.82 MEN1 (0.35) TSHRALDH1A1CYP3A4MEN1KMT2A
SCHEMBL1961552 0.81

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
EP-1499656-B1 METHOD FOR PRODUCING POLYAMIDES BASF AG (DE) 2006-07-05 EP disclosed