SCHEMBL6555545

SCHEMBL6555545

COc1cc2c(cc1OC)C(C)(C)CC2=C(C#N)C(=O)OCC(C)C[Si](C)(C)O[Si](C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL6554890 0.84 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL7742045 0.80 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL6554562 0.80 ALDH1A1 (0.42) ALDH1A1LMNA
SCHEMBL6555509 0.79 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL7569244 0.78 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL7569240 0.78 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL14542891 0.78 ALDH1A1 (0.34) ALDH1A1LMNA
SCHEMBL6553263 0.73 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL6554596 0.73 ALDH1A1 (0.37) ALDH1A1LMNA
SCHEMBL6554592 0.73 ALDH1A1 (0.37) ALDH1A1LMNA

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