SCHEMBL6554850

SCHEMBL6554850

C#CCOc1cc2c(cc1OC)C(=O)CC2(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
PGR P06401 4/20 0.35
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAOB P27338 2/20 0.34
DRD2 P14416 2/20 0.34
MAOA P21397 1/20 0.34
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
KLK7 P49862 1/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
POLB P06746 1/20 0.33
CYP2B6 P20813 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6553226 1.00 PDE4B (0.37) PDE4BPGRALDH1A1MEN1KMT2A
SCHEMBL301752 0.84 CA1 (0.44) PGRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16774398 0.79 KDM4E (0.48) ALDH1A1MAOBKDM4EGAAMAPT
SCHEMBL14428500 0.78 PDE4A (0.41) PDE4BPGRALDH1A1MEN1KMT2A
SCHEMBL6554596 0.75 ALDH1A1 (0.37) PDE4BALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6554592 0.75 ALDH1A1 (0.37) PDE4BALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6553263 0.75 ALDH1A1 (0.37) PDE4BALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6553260 0.75 ALDH1A1 (0.37) PDE4BALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4808764 0.74 KDM4E (0.33) PGRALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL5397188 0.74 PGR (0.43) PGRALDH1A1MEN1KMT2AL3MBTL1

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