SCHEMBL8070156

SCHEMBL8070156

CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.41
CES1 P23141 8/20 0.39
CES2 O00748 4/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLOD2 O00469 3/20 0.39
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL77034 1.00 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL6912868 1.00 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL93393 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL183178 0.85 PLOD2 (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL4837194 0.85 KMT2A (0.39) MEN1KMT2AALDH1A1
SCHEMBL23009373 0.83 PLOD2 (0.43) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11515923 0.83 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL11974568 0.83 KMT2A (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL23176761 0.83 KMT2A (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL9566006 0.82 KMT2A (0.37) MEN1KMT2AALDH1A1

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
EP-0619309-B1 Process for the preparation of alkylimidazolidone (meth)acrylates ATOCHEM ELF SA (FR) 2000-07-12 EP claimed
US-4816289-A CARBONIZATION OF HYDROCARBONS WITH TRANSITION METAL CATALYST ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1989-03-28 US disclosed