SCHEMBL16693247

SCHEMBL16693247

C=C(C)C(=O)OCCOC(=O)Cc1cccc(N)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.40
ALOX5 P09917 1/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
SLC7A5 Q01650 1/20 0.39
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP19A1 P11511 2/20 0.37
GLS O94925 2/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
THRA P10827 1/20 0.36
TSHR P16473 3/20 0.36
PAM P19021 1/20 0.36

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
SCHEMBL19980993 0.87 MAOB (0.45) THRBTDP1POLBAPEX1HTT
SCHEMBL18373632 0.83 THRB (0.44) YWHAGTHRBTDP1POLBAPEX1
SCHEMBL434673 0.83 ALDH1A1 (0.54) ALOX5THRBTDP1POLBAPEX1
SCHEMBL8041635 0.83 TSHR (0.48) THRBTDP1POLBAPEX1HTT
SCHEMBL9817767 0.81 ALDH1A1 (0.42) THRBMAOAMAOBCYP19A1ALDH1A1
SCHEMBL11628393 0.81 YWHAG (0.42) YWHAGALOX5TDP1SLC7A5MAOA
SCHEMBL11625396 0.80 ALOX5 (0.57) YWHAGALOX5TDP1MAOAMAOB
SCHEMBL8852497 0.79 TSHR (0.48) TDP1ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL11628910 0.79 YWHAG (0.42) YWHAGALOX5THRBTDP1SLC7A5
SCHEMBL9561481 0.78 TSHR (0.48) THRBTDP1POLBAPEX1HTT

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
WO-2015064674-A1 METHOD FOR MANUFACTURING POLYMERIZABLE UV-ABSORBING DYE 興和株式会社 2015-05-07 WO disclosed