SCHEMBL5072803

SCHEMBL5072803

CCCC(C1CC(C)(C)N(C)C(C)(C)C1)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)(C(=O)O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.36
KMT2A Q03164 4/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 4/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 2/20 0.36
BLM P54132 2/20 0.36
ATM Q13315 2/20 0.36
HIF1A Q16665 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
USP2 O75604 1/20 0.36
CYP2D6 P10635 1/20 0.36
GAA P10253 6/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 4/20 0.34
LMNA P02545 2/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34

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
SCHEMBL9626834 0.79 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL207800 0.78 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL223324 0.77 ALDH1A1 (0.34) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL7030387 0.77 IDH1 (0.35) ALDH1A1KMT2AMAPTMEN1GAA
SCHEMBL28556085 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL1768973 0.76 HMGCR (0.36) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL314423 0.75 HIF1A (0.43) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL3085940 0.74 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL313286 0.74 ALDH1A1 (0.36) ALDH1A1KMT2AMAPTTSHRMEN1
SCHEMBL224189 0.74 GAA (0.32) ALDH1A1KMT2AMAPTTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1263855-B1 STABILIZER MIXTURES FOR POLYOLEFINS CIBA SC HOLDING AG (CH) 2008-03-12 EP claimed
CN-104937024-B Resin composition 株式会社ADEKA 2018-03-09 CN disclosed
CN-107250256-A Vinyl chloride resin composition 株式会社艾迪科 2017-10-13 CN disclosed
CN-106716236-A Backlight unit, liquid crystal display device, and wavelength conversion member 富士胶片株式会社 2017-05-24 CN disclosed