SCHEMBL12430295

SCHEMBL12430295

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

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 1/20 0.31
TSHR P16473 3/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL23112234 0.90 TSHR (0.34) ALDH1A1TSHR
SCHEMBL21237863 0.86 TSHR (0.35) TSHR
SCHEMBL7706303 0.86 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL7706289 0.84 TSHR (0.41) ALDH1A1TSHR
SCHEMBL7709308 0.84 TSHR (0.41) ALDH1A1TSHR
SCHEMBL7701376 0.84 TSHR (0.41) ALDH1A1TSHR
SCHEMBL19333618 0.83 GAA (0.39) EPHX2TSHRHDAC8HDAC1HDAC2
SCHEMBL21237906 0.83 TSHR (0.33) TSHR
SCHEMBL21237865 0.83
SCHEMBL20095265 0.83 TSHR (0.35) TSHR

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
EP-2230284-B1 Ink composition and inkjet recording method FUJIFILM CORP (JP) 2011-08-03 EP disclosed
EP-2298841-A1 Ink composition, and inkjet recording method FUJIFILM Corporation (JP) 2011-03-23 EP disclosed