SCHEMBL8157774

SCHEMBL8157774

C=C(CCC(C)C)C(=O)O.CC(=CC1CC2CCC1(C)C2(C)C)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
ESR2 Q92731 3/20 0.32
EPHX2 P34913 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
ESR1 P03372 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
SCHEMBL3778927 0.85 ALDH1A1 (0.32) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL9364485 0.83 ALDH1A1 (0.33) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL2531554 0.83 EPHX2 (0.42) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL5864543 0.83 EPHX2 (0.42) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL2029635 0.83 KMT2A (0.39) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL21799353 0.83 KMT2A (0.39) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL20357288 0.83 KMT2A (0.39) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL17745706 0.83 KMT2A (0.39) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL26529 0.83 KMT2A (0.39) MEN1KMT2AHTTEPHX2ALDH1A1
SCHEMBL5922012 0.80 EPHX2 (0.34) MEN1KMT2AHTTEPHX2ALDH1A1

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
US-6153206-A A MIXTURE COMPRISING AN UNCROSSLINKED SYNTHETIC COPOLYMER CONSISTING OF METHACRYLATE ESTER MONOMERS WITH A GLASS TRANSITION TEMPERATURE IN THE RANGE OF ABOUT 20 TO 105.DEGREE. C.; A LIPSTICK PROVIDES A SHINY FINISH REVLON CONSUMER PRODUCTS CORPORATION (US) 2000-11-28 US disclosed