SCHEMBL6554589

SCHEMBL6554589

C=C(CNC(=O)C(C#N)=C1CC(C)(C)c2cc(OC)c(OC)cc21)[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTT P42858 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
SCHEMBL6553273 0.80 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHTT
SCHEMBL6553270 0.80 ALDH1A1 (0.33) ALDH1A1LMNAKDM4EHTT
SCHEMBL6554890 0.76 ALDH1A1 (0.31) ALDH1A1LMNAKDM4EHTT
SCHEMBL6555509 0.74 ALDH1A1 (0.31) ALDH1A1LMNAKDM4EHTT
SCHEMBL6555545 0.72 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL7742045 0.72 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHTT
SCHEMBL6554562 0.72 ALDH1A1 (0.42) ALDH1A1LMNAKDM4EHTT
SCHEMBL5397192 0.72 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EHTT
SCHEMBL5397197 0.72 ALDH1A1 (0.36) ALDH1A1LMNAKDM4EHTT
SCHEMBL14439941 0.71 TNFSF11 (0.42) ALDH1A1LMNAKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1000950-B1 Novel indanylidene compounds HOFFMANN LA ROCHE (CH) 2004-02-25 EP disclosed
US-6416746-B1 ULTRAVIOLET RAY AND LIGHT SCREENING MATERIAL GRAFTED TO SILANE, OLIGOSILOXANE, OR POLYSILOXANE WITH IMPROVED SOLUBILITY AND LITTLE PENETRATION; FOR USE IN COSMETICS ROCHE VITAMINS INC. 2002-07-09 US disclosed
EP-1000950-A2 Novel indanylidene compounds F. HOFFMANN-LA ROCHE AG (CH) 2000-05-17 EP disclosed