SCHEMBL11053573

SCHEMBL11053573

CC1(C)CC(OS(=O)(=O)c2ccccc2)CC(C)(C)N1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
MAPK1 P28482 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ALOX15 P16050 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
RAD52 P43351 1/20 0.39
GFER P55789 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
EZH2 Q15910 2/20 0.38
TSHR P16473 1/20 0.38
KDM1A O60341 1/20 0.38
HTT P42858 1/20 0.37
PARL Q9H300 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL21571675 0.89 GAA (0.43) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL2787828 0.86 CYP2D6 (0.49) GAAKMT2AMEN1MAPTTSHR
SCHEMBL27761141 0.83 GAA (0.42) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL3801964 0.77 MAPK1 (0.41) GAAMAPK1KMT2AALDH1A1MAPT
SCHEMBL11057832 0.76 CA2 (0.46) ALDH1A1LMNAHTTKDM4E
SCHEMBL14778967 0.75 MAPK1 (0.50) GAAMAPK1KMT2AALDH1A1MAPT
SCHEMBL14779080 0.75 MAPK1 (0.50) GAAMAPK1KMT2AALDH1A1MAPT
SCHEMBL10408638 0.75 MAPK1 (0.50) GAAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL2101080 0.75 MAPK1 (0.50) GAAMAPK1KMT2AMEN1ALDH1A1
SCHEMBL777222 0.72 MAPK1 (0.47) GAAMAPK1KMT2AMEN1ALDH1A1

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
US-4487870-A BLEND OF ETHYLENE-VINYL ACETATE COPOLYMER WITH PHOTOSTABILIZER EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-11 US disclosed
US-4038218-A SPRAY DRYING KAO SOAP CO., LTD. (JA) 1977-07-26 US disclosed