SCHEMBL9910789

SCHEMBL9910789

CC(C)CC[N+]1=C(/C=C/N2CCOCC2)C(C)(C)c2cc(C(F)(F)F)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HIF1A Q16665 1/20 0.32
EPAS1 Q99814 1/20 0.32
MCHR1 Q99705 3/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PRMT1 Q99873 2/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 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
SCHEMBL13443024 0.84 MAPT (0.39) LMNASMN1; SMN2PRMT1
SCHEMBL14184790 0.76 FURIN (0.38) ALDH1A1GAAKDM4ELMNASMN1; SMN2
SCHEMBL9910786 0.74 APP (0.35) LMNAPRMT1
SCHEMBL13645474 0.73 MAPT (0.46) ALDH1A1LMNASMN1; SMN2PRMT1
SCHEMBL11911120 0.73 PRMT1 (0.51) LMNASMN1; SMN2PRMT1
SCHEMBL10096760 0.72 APP (0.30)
SCHEMBL10096752 0.72 GAA (0.32) ALDH1A1GAA
SCHEMBL11953165 0.71 PRMT1 (0.48) LMNASMN1; SMN2PRMT1
SCHEMBL9910792 0.71 ALDH1A1 (0.35) ALDH1A1GAAHIF1AEPAS1MCHR1
SCHEMBL13645531 0.70 PRMT1 (0.36) PRMT1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8197923-B2 Optical recording medium ADEKA CORPORATION (JP) 2012-06-12 US disclosed
EP-2360023-A1 Optical recording medium Adeka Corporation (JP) 2011-08-24 EP disclosed
EP-2002986-A9 OPTICAL RECORDING MEDIUM Adeka Corporation (JP) 2009-04-15 EP disclosed
US-20090029088-A1 OPTICAL RECORDING MEDIUM ADEKA CORPORATION (JP) 2009-01-29 US disclosed
EP-2002986-A2 OPTICAL RECORDING MEDIUM Adeka Corporation (JP) 2008-12-17 EP disclosed