SCHEMBL14770815

SCHEMBL14770815

CCCC/C=C/C(C)N=C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.35
TSHR P16473 4/20 0.35
MAPT P10636 4/20 0.35
TP53 P04637 2/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ASAH2 Q9NR71 2/20 0.33
PTGS1 P23219 1/20 0.33
PPARG P37231 1/20 0.33
OPRK1 P41145 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
FAAH O00519 2/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
TRPV1 Q8NER1 1/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
CYP2C19 P33261 3/20 0.32
GMNN O75496 2/20 0.32

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
SCHEMBL4395842 0.74
SCHEMBL109950 0.74
SCHEMBL109949 0.74
SCHEMBL7284948 0.74 TSHR (0.37) CYP3A4TSHRMAPTTP53MEN1
SCHEMBL7284954 0.74 TSHR (0.37) CYP3A4TSHRMAPTTP53MEN1
SCHEMBL9212325 0.73 MEN1 (0.41) CYP3A4MAPTTP53MEN1KMT2A
SCHEMBL9212319 0.73 MEN1 (0.41) CYP3A4MAPTTP53MEN1KMT2A
SCHEMBL9825475 0.72
SCHEMBL19792265 0.71 FAAH (0.47) CYP3A4TSHRMAPTTP53MEN1
SCHEMBL1486690 0.70 MEN1 (0.39) CYP3A4TSHRMAPTTP53MEN1

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-20130064843-A1 Identification of conserved peptide blocks in homologous polypeptides DANA-FARBER CANCER INSTITUTE, INC. (US) 2013-03-14 US disclosed