SCHEMBL172011

SCHEMBL172011

C=C(C)C(=C)OC(CC)(CC)C1CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX12 P18054 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL171954 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL22201018 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10237134 0.78 EPHX1 (0.34) ALDH1A1NPSR1
SCHEMBL12332054 0.78
SCHEMBL16807392 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13952973 0.77 EPHX1 (0.32)
SCHEMBL5426220 0.76 EPHX2 (0.38) ALDH1A1NPSR1
SCHEMBL10281408 0.76 GAA (0.33) ALDH1A1LMNA
SCHEMBL171600 0.76 ALDH1A1 (0.36) ALDH1A1
SCHEMBL16807398 0.73 ALDH1A1 (0.37) ALDH1A1

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-2426154-A1 Photosensitive composition, pattern forming method using the photosensitive composition and compound for use in the photosensitive composition Fujifilm Corporation (JP) 2012-03-07 EP disclosed
EP-2192134-A1 PHOTOSENSITIVE COMPOSITION, PATTERN-FORMING METHOD USING THE PHOTOSENSITIVE COMPOSITION, AND COMPOUND USED IN THE PHOTOSENSITIVE COMPOSITION Fujifilm Corporation (JP) 2010-06-02 EP disclosed