SCHEMBL9910792

SCHEMBL9910792

CC(C)CC[n+]1c(/C=C/N2CCOCC2)oc2cc(C(F)(F)F)ccc21

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
GAA P10253 1/20 0.35
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
MCHR1 Q99705 4/20 0.33
LMNA P02545 3/20 0.32
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9910789 0.71 ALDH1A1 (0.34) ALDH1A1GAAHIF1AEPAS1MCHR1
SCHEMBL16315965 0.65 ALDH1A1 (0.38) ALDH1A1LMNAKDM4ESMN1; SMN2MAPT
SCHEMBL12452982 0.63 ALDH1A1 (0.39) ALDH1A1GAAMCHR1LMNAKDM4E
SCHEMBL16315974 0.62 MEN1 (0.34) MAPTRAB9A
SCHEMBL13443024 0.58 MAPT (0.39) LMNASMN1; SMN2MAPTHTTRAB9A
SCHEMBL14431575 0.58 ALDH1A1 (0.57) ALDH1A1GAALMNAKDM4ESMN1; SMN2
SCHEMBL28364960 0.57 HIF1A (0.53) ALDH1A1HIF1AEPAS1LMNAKDM4E
SCHEMBL28364962 0.57 HIF1A (0.53) ALDH1A1HIF1AEPAS1LMNAKDM4E
SCHEMBL17393323 0.54 TSHR (0.34) ALDH1A1LMNAMAPTHTT
SCHEMBL24598759 0.54 TEAD1 (0.54) ALDH1A1HIF1AEPAS1LMNAKDM4E

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 6 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
US-8197923-B2 Optical recording medium ADEKA CORPORATION (JP) 2012-06-12 US 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
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