SCHEMBL8586989

SCHEMBL8586989

COCCOCCOCC1COC(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX5 P09917 1/20 0.32
MAPK1 P28482 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
SCHEMBL7155699 1.00 TSHR (0.37) TSHRSMN1; SMN2ALDH1A1TDP1ALOX5
SCHEMBL9232246 0.98 TSHR (0.38) TSHRSMN1; SMN2ALDH1A1TDP1ALOX5
SCHEMBL17461572 0.91 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL6553153 0.89 TSHR (0.40) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL22852496 0.89 TSHR (0.44) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL17461579 0.87 SMN1; SMN2 (0.37) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL1104607 0.83 SMN1; SMN2 (0.33) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL7875340 0.83 SMN1; SMN2 (0.43) TSHRSMN1; SMN2ALDH1A1TDP1
SCHEMBL16663913 0.82 TSHR (0.47) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL16675416 0.82 TSHR (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10251400-A None JP disclosed
JP-H10251400-A ALKYLENE OXIDE OLIGOMER CONTAINING CYCLIC POLAR GROUP AT END GROUP SUMITOMO CHEM CO LTD 1998-09-22 JP disclosed