SCHEMBL8679113

SCHEMBL8679113

CCCCOC(=O)N[N]C(=O)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
FAAH O00519 7/20 0.50
ALDH1A1 P00352 4/20 0.46
TSHR P16473 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL15843547 0.81 TSHR (0.50) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL15843546 0.81 TSHR (0.50) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL8679118 0.81 FAAH (0.57) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL3868730 0.78 TDP1 (0.58) TDP1ALDH1A1TSHRL3MBTL1SMN1; SMN2
SCHEMBL730122 0.77 TSHR (0.56) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL15843802 0.77 TSHR (0.51) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL15843801 0.77 TSHR (0.51) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL15268216 0.76 MGLL (0.64)
SCHEMBL15865288 0.76 TSHR (0.42) TDP1FAAHALDH1A1TSHRL3MBTL1
SCHEMBL15843503 0.75 TSHR (0.53) FAAHALDH1A1TSHRSMN1; SMN2RAB9A

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-5728832-A FOR USE IN A COLOR FORMING PRESSURE SENSITIVE OR HEAT SENSITIVE PAPER FUJI PHOTO FILM CO., LTD. (JP) 1998-03-17 US claimed