SCHEMBL8937071

SCHEMBL8937071

CCCCCC(N)(N)C(=O)C(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.62
FAAH O00519 9/20 0.47
CES1 P23141 6/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FDPS P14324 2/20 0.44
SMPD1 P17405 2/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR3 Q9UBY5 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL6153272 0.94 CES2 (0.53) CES2FAAHCES1MEN1CYP1A2
SCHEMBL9067900 0.80 FDPS (0.48) CES2CES1FDPSSMPD1
SCHEMBL259016 0.76 FDPS (0.48) CES2MEN1KMT2AHSD17B10FDPS
SCHEMBL27916871 0.76 FDPS (0.48) CES2FDPSSMPD1
SCHEMBL24276176 0.75 CES2 (0.68) CES2FAAHCES1MEN1CYP1A2
SCHEMBL31018949 0.74 SMPD1 (0.50) CES2MEN1KMT2AHSD17B10FDPS
SCHEMBL287722 0.74 SMPD1 (0.50) CES2MEN1KMT2AHSD17B10FDPS
SCHEMBL28842970 0.74 FDPS (0.50) CES2FDPSSMPD1
SCHEMBL1027737 0.74 SMPD1 (0.50) CES2MEN1KMT2AHSD17B10FDPS
SCHEMBL20599006 0.74 SMPD1 (0.50) CES2MEN1KMT2AHSD17B10FDPS

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563253-A NON-RADIOACTIVE LABELLING WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-10-08 US disclosed
US-5541306-A LABELS WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-07-30 US disclosed
US-5536821-A Aminoalkylphosphorothioamidate oligonucleotide deratives WORCESTER FOUNDATION FOR BIOMEDICAL RESEARCH (US) 1996-07-16 US disclosed
US-5321131-A Diagnosis, therapy HYBRIDON, INC. (US) 1994-06-14 US disclosed
WO-1991013902-A2 SITE-SPECIFIC FUNCTIONALIZATION OF OLIGODEOXYNUCLEOTIDES FOR NON-RADIOACTIVE LABELLING WORCESTER FOUNDATION FOR EXPERIMENTAL BIOLOGY (US) 1991-09-19 WO disclosed