SCHEMBL14419976

SCHEMBL14419976

COC1CCCC(CC2CCCC(OCC3CO3)C2)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL14415209 0.92 TSHR (0.36) SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL23135367 0.81 TSHR (0.39) SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL730238 0.79 TSHR (0.43) SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL21881246 0.76
SCHEMBL15359375 0.76 CTSL (0.33)
SCHEMBL20204157 0.76 CTSL (0.39)
SCHEMBL24465356 0.75 TP53 (0.33) TSHR
SCHEMBL13033290 0.75 TSHR (0.36) SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL14919805 0.71 TSHR (0.36) SMN1; SMN2TSHRALDH1A1TDP1
SCHEMBL17450073 0.71 TP53 (0.37) SMN1; SMN2TSHRALDH1A1TDP1

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-7267910-B2 Chemical battery containing gel electrolyte based on crosslinked epoxy compound having an alicyclic structure KABUSHIKI KAISHA TOSHIBA (JP) 2007-09-11 US disclosed