SCHEMBL13367691

SCHEMBL13367691

COCCC(C)CCCOCC1CO1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
ALDH1A1 P00352 4/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPK1 P28482 1/20 0.39
PDK1 Q15118 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
SCHEMBL22555764 0.86 TSHR (0.62) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10754352 0.86 TSHR (0.67) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1843156 0.85 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL1402713 0.84 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL27521802 0.84 SMN1; SMN2 (0.61) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL9716465 0.83 TSHR (0.52) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL10585663 0.82 TSHR (0.65) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28262735 0.81 TSHR (0.50) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL28633009 0.80 TSHR (0.53) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL8669169 0.80 ALDH1A1 (0.72) 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
US-20100117027-A1 Polymerizable liquid crystal composition CHISSO CORPORATION 2010-05-13 US disclosed