SCHEMBL13237291

SCHEMBL13237291

CCCCCCCCCCCCOC(=O)/C(C#N)=C(\O)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
CES2 O00748 4/20 0.44
NAAA Q02083 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
EPHX1 P07099 1/20 0.39
FAAH O00519 7/20 0.38
CES1 P23141 5/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL11979167 0.81 TSHR (0.54) TSHRCES2NAAAHCAR2RAD52
SCHEMBL11979162 0.81 TSHR (0.54) TSHRCES2NAAAHCAR2RAD52
SCHEMBL7853980 0.81 ALDH1A1 (0.47) TSHRCES2NPSR1CES1MEN1
SCHEMBL12220393 0.80 TSHR (0.56) TSHRCES2NAAAHCAR2RAD52
SCHEMBL4544956 0.80 TSHR (0.51) TSHRCES2NAAAHCAR2RAD52
SCHEMBL2592394 0.80 ALDH1A1 (0.46) TSHRCES2NPSR1CES1MEN1
SCHEMBL12220398 0.80 TSHR (0.56) TSHRCES2NAAAHCAR2RAD52
SCHEMBL2592388 0.80 ALDH1A1 (0.46) TSHRCES2NPSR1CES1MEN1
SCHEMBL4544964 0.78 TSHR (0.50) TSHRCES2NAAAHCAR2RAD52
SCHEMBL13237297 0.75 FAAH (0.47) TSHRCES2FAAHCES1MEN1

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
US-7749669-B2 Electrophotographic toner and image forming method KONICA MINOLTA HOLDINGS, INC. (JP) 2010-07-06 US disclosed
US-20070259282-A1 Electrophotographic toner, image forming method, dye and metal chelate dye KONICA MINOLTA HOLDINGS, INC. (JP) 2007-11-08 US disclosed