SCHEMBL8017724

SCHEMBL8017724

CC(C)c1cc(C(C)C)c(C(N)=O)c(C(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.67
FABP3 P05413 2/20 0.67
FABP5 Q01469 1/20 0.48
GABRA1 P14867 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 2/20 0.38
GAA P10253 3/20 0.36
KIF11 P52732 1/20 0.35
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SOAT2 O75908 1/20 0.33
MYC P01106 1/20 0.33
SOAT1 P35610 1/20 0.33
MAP2K3 P46734 1/20 0.33
HTT P42858 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL28014363 0.88 FABP3 (0.58) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL28348175 0.81 GABRA1 (0.54) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL2383444 0.80 FABP4 (0.69) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL446680 0.80 FABP4 (0.69) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL810177 0.80 FABP3 (1.00) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL10167825 0.79 FABP3 (0.62) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL17311830 0.78 FABP3 (0.96) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL7484474 0.78 FABP4 (0.67) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL14519841 0.78 FABP4 (0.67) FABP4FABP3FABP5GABRA1GABRB2
SCHEMBL1003199 0.78 POLB (0.46) FABP4FABP3FABP5GABRA1GABRB2

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-6150385-A VIRICIDE WITH ACTIVITY AGAINST CYTOMEGALO VIRUS (CMV), HERPES VIRUS INCLUDING VARICELLA ZOSTER VIRUS, THE EPSTEIN-BARR VIRUS, THE HERPES SIMPLEX VIRUS, AND THE HUMAN HERPES VIRUS TYPE 8 (HHV-8) PHARMACIA & UPJOHN COMPANY (US) 2000-11-21 US disclosed