SCHEMBL13621985

SCHEMBL13621985

O=C(O)C1=CC=C[C@H](O)[C@@H]1O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL638361 1.00 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL1970857 1.00 TSHR (0.35) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL4317430 0.78 TSHR (0.41) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL4592491 0.78 TSHR (0.41) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL8767264 0.75 HSD17B10 (0.33) TSHRMAPK1HSD17B10TDP1KMT2A
SCHEMBL27704000 0.71 TSHR (0.38) TSHRMAPK1HSD17B10TDP1THRB
SCHEMBL239532 0.70
SCHEMBL12263601 0.70
SCHEMBL8767596 0.68 AKR1B1 (0.31)
Acetone SCHEMBL9679471 0.67

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-2009137916-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF OSELTAMIVIR AND ANALOGS THEREOF BROCK UNIVERSITY (CA) 2009-11-19 WO disclosed