SCHEMBL13327352

SCHEMBL13327352

C(CCOC1CO1)COCC1CO1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.75
ALDH1A1 P00352 4/20 0.60
TDP1 Q9NUW8 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.41
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL14175336 0.87 TSHR (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21272 0.87 TSHR (1.00) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL13974192 0.87 TSHR (1.00) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL17549552 0.87 TSHR (1.00) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL2786172 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL20543294 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL23668239 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL15215 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL21834095 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL19410576 0.84 TSHR (0.95) TSHRALDH1A1TDP1SMN1; SMN2MAPK1

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-7718746-B2 Anion-binding polymers and uses thereof ILYPSA, INC. (US) 2010-05-18 US disclosed
US-7718746-B2 Anion-binding polymers and uses thereof ILYPSA, INC. (US) 2010-05-18 US disclosed