SCHEMBL11290983

SCHEMBL11290983

CCCC(C1CC(C)(C)N(C(C)=O)C(C)(C)C1)(C1CC(C)(C)N(C(C)=O)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 9/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 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
LMNA P02545 3/20 0.34
ALOX15 P16050 2/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34
TP53 P04637 1/20 0.34
CYP2C9 P11712 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
SCHEMBL313286 0.91 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL10724417 0.91 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL7795980 0.85 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL6025501 0.74 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL20291762 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL11170558 0.73 ALDH1A1 (0.33) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL11290985 0.73 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL11468979 0.73 GAA (0.36) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL28556085 0.72 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1MAPTTSHR
SCHEMBL11520167 0.72 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0052073-A1 Light stabilization of acid catalysed storing enamels CIBA-GEIGY AG (CH) 1982-05-19 EP disclosed