SCHEMBL6854566

SCHEMBL6854566

[O]CCOCCCCCCCl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TSHR P16473 2/20 0.33
DDB1 Q16531 1/20 0.32
CRBN Q96SW2 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL2910605 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL17746744 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL4428950 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL8755356 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL5888582 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL25030158 0.86 TSHR (0.42) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL933534 0.83 TSHR (0.43) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL11505088 0.83 TSHR (0.43) ALDH1A1TSHRCA1CA2TDP1
Water SCHEMBL28157926 0.80 TSHR (0.40) ALDH1A1TSHRCA1CA2TDP1
SCHEMBL11854466 0.77

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
WO-2004072232-A9 COVALENT TETHERING OF FUNCTIONAL GROUPS TO PROTEINS PROMEGA CORP (US) 2004-10-14 WO disclosed