SCHEMBL8517154

SCHEMBL8517154

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nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL6128466 1.00 ALDH1A1 (0.35) ALDH1A1LMNATSHR
SCHEMBL10300852 0.83 CNR2 (0.40) ALDH1A1TSHR
SCHEMBL1874566 0.83 CNR2 (0.40) ALDH1A1TSHR
SCHEMBL1874564 0.83 CNR2 (0.40) ALDH1A1TSHR
SCHEMBL24438525 0.82 ALDH1A1 (0.47) ALDH1A1LMNATSHR
SCHEMBL7187330 0.81 TSHR (0.38) ALDH1A1LMNATSHR
SCHEMBL7187331 0.81 TSHR (0.38) ALDH1A1LMNATSHR
SCHEMBL6128459 0.79 ADORA3 (0.37) ALDH1A1TSHR
SCHEMBL6128468 0.75 CNR2 (0.39) LMNA
SCHEMBL19077703 0.74 LMNA (0.50) ALDH1A1LMNATSHR

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
EP-2455363-A1 METHOD FOR MANUFACTURING SPILANTHOL AND INTERMEDIATE MANUFACTURING PRODUCT THEREFOR Takasago International Corporation (JP) 2012-05-23 EP disclosed