SCHEMBL7520353

SCHEMBL7520353

C=C(C)C(=O)OC.C=CC(=O)NC(C)(C)CCCCC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 4/20 0.40
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
HPGD P15428 1/20 0.32
EPHX1 P07099 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL36168 0.87 ZDHHC20 (0.50) ALDH1A1MEN1KMT2ATSHRZDHHC20
SCHEMBL5713069 0.85 ZDHHC20 (0.53) ALDH1A1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL11760141 0.85 ZDHHC20 (0.53) ALDH1A1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL9397033 0.85 ZDHHC20 (0.53) ALDH1A1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL30617780 0.84 ZDHHC20 (0.51) ALDH1A1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL30603875 0.84 ZDHHC20 (0.51) ALDH1A1MEN1KMT2AZDHHC20ZDHHC2
SCHEMBL8765940 0.82 MEN1 (0.50) ALDH1A1MEN1KMT2ATSHRZDHHC20
SCHEMBL8357501 0.77 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATSHRCYP3A4
Hexane SCHEMBL27951935 0.76 ALDH1A1 (0.71) ALDH1A1TSHRTHRATHRBEPHX1
SCHEMBL9299705 0.76 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ATSHRCYP3A4

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-20020015683-A1 A lipstick includes ethyl cellulose, a cosmetic pigment, an organic solvent, an alcohol soluble and water insoluble resin includes one or more monomers: octylacrylamide, acrylate, methyl methacrylate, butylaminoethyl methacrylate etc. NICHOLS, ROSEMARIE 2002-02-07 US claimed
US-6027739-A AN ALCOHOL-SOLUBLE AND WATER-INSOLUBLE RESIN, ETHYL CELLLULOSE, A COSMETIC PIGMENT AND AN ORGANIC SOLVENT, THE RESIN BEING A HOMO- OR COPOLYMER OF ACRYLAMIDES, (METH)ACRYLATES OR VINYL ACETATE; ANTISOILANTS LIP INK INTERNATIONAL (US) 2000-02-22 US claimed