SCHEMBL6877807

SCHEMBL6877807

C=Cc1ccccc1OC(C)(OCC)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.34
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL28560205 0.78 MAPK1 (0.45) FBP1MAPK1ALDH1A1
SCHEMBL7209892 0.77 RELA (0.38) ALDH1A1
SCHEMBL1802466 0.75 MAPK1 (0.46) MAPK1ALDH1A1
SCHEMBL3783784 0.74 ALDH1A1 (0.35) FBP1MAPK1ALDH1A1
SCHEMBL30414461 0.73 ALDH1A1 (0.45) FBP1MAPK1ALDH1A1
SCHEMBL187272 0.73 ALDH1A1 (0.45) FBP1MAPK1ALDH1A1
Methane SCHEMBL1904173 0.72 ALDH1A1 (0.43) FBP1MAPK1ALDH1A1
Benzene SCHEMBL28121961 0.72 ALDH1A1 (0.48) MAPK1ALDH1A1
SCHEMBL16537402 0.72 ALDH1A1 (0.31) ALDH1A1
SCHEMBL27765750 0.72 CCNB2 (0.38) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392675-A1 SUBSTITUTED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS Ciba SC Holding AG (CH) 2004-03-03 EP disclosed
WO-2002098870-A1 SUBSTITUTED OXIME DERIVATIVES AND THE USE THEREOF AS LATENT ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-12-12 WO disclosed