SCHEMBL12835649

SCHEMBL12835649

C=C(C)C(=O)OC(C)(C)CCCCC(=O)OC(C)(C)C1CCCO1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL12835639 0.84 LMNA (0.34) LMNAPOLB
SCHEMBL74568 0.81 ALDH1A1 (0.38) LMNAALDH1A1
SCHEMBL23112234 0.77 TSHR (0.34) LMNAALDH1A1
SCHEMBL12430295 0.77 EPHX2 (0.35) ALDH1A1
SCHEMBL21299992 0.74 LMNA (0.38) LMNAPOLBALDH1A1
SCHEMBL21237863 0.73 TSHR (0.35)
SCHEMBL7706303 0.73 ALDH1A1 (0.41) ALDH1A1
SCHEMBL20095265 0.73 TSHR (0.35) LMNA
SCHEMBL7706289 0.72 TSHR (0.41) POLBALDH1A1
SCHEMBL7709308 0.72 TSHR (0.41) POLBALDH1A1

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-2298841-A1 Ink composition, and inkjet recording method FUJIFILM Corporation (JP) 2011-03-23 EP disclosed