SCHEMBL5829971

SCHEMBL5829971

CC(C)c1cc(C(C)C)c(S(=O)(=O)[O-])c(C(C)C)c1.Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 5/20 0.38
FABP3 P05413 2/20 0.38
FABP5 Q01469 1/20 0.38
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NR3C1 P04150 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
ENPP3 O14638 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
SCHEMBL383991 0.85 FABP4 (0.47) FABP4FABP3FABP5ALDH1A1NR3C1
SCHEMBL5549805 0.82 FABP4 (0.42) FABP4FABP3FABP5ALDH1A1NR3C1
SCHEMBL2634746 0.81 FABP4 (0.39) FABP4FABP3FABP5HTTALDH1A1
SCHEMBL3407173 0.80 FABP4 (0.38) FABP4FABP3FABP5NR3C1TDP1
SCHEMBL547282 0.79 FABP4 (0.39) FABP4FABP3FABP5ALDH1A1NR3C1
SCHEMBL4585181 0.78 LMNA (0.40) ALDH1A1TDP1GAALMNA
SCHEMBL3780561 0.78 FABP4 (0.44) FABP4FABP3FABP5ALDH1A1NR3C1
SCHEMBL547503 0.76 BCHE (0.38) HTTALDH1A1TDP1GAALMNA
SCHEMBL31072151 0.76 BCHE (0.38) HTTALDH1A1TDP1GAALMNA
SCHEMBL5549111 0.76 FABP4 (0.46) FABP4FABP3FABP5ALDH1A1NR3C1

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-1636648-A2 NOVEL POSITIVE PHOTOSENSITIVE RESIN COMPOSITIONS FujiFilm Electronic Materials USA, Inc. (US) 2006-03-22 EP disclosed
WO-2005000912-A2 NOVEL POSITIVE PHOTOSENSITIVE RESIN COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2005-01-06 WO disclosed