SCHEMBL8940598

SCHEMBL8940598

COC(CC(C)CO)OC

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
TRPA1 O75762 2/20 0.37
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 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
SCHEMBL9527402 0.77 TSHR (0.32) TSHRTDP1
SCHEMBL15726446 0.76
SCHEMBL9156236 0.75 TRPA1 (0.31) TRPA1
SCHEMBL45749 0.75
SCHEMBL1328939 0.75
SCHEMBL23036814 0.74
SCHEMBL9841240 0.72 KMT2A (0.30) KMT2A
SCHEMBL12324221 0.72 ALDH1A1 (0.33)
SCHEMBL10261753 0.72 TSHR (0.33) TSHR
SCHEMBL28092593 0.72 TDP1 (0.35) TSHRTRPA1TDP1

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-5576426-A Aldolase catalyzed stereoselective synthesis of arabinohexulose, xyloheptulose, threohexulose and xylohexulose G. D. SEARLE & CO. (US) 1996-11-19 US disclosed