SCHEMBL4313158

SCHEMBL4313158

C(OCC1CO1)C1CO1.OC[C@H]1CC[C@H](CO)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 1/20 0.31
ESR1 P03372 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 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
SCHEMBL50196 1.00 TSHR (0.54) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1230993 0.96 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1146861 0.96 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1128772 0.96 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL5440894 0.90 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15282332 0.84 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL15383241 0.83
SCHEMBL15268272 0.83 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1127982 0.83 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL49884 0.83 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1

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-2009142901-A1 EPOXY RESINS AND PROCESSES FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed