SCHEMBL28167692

SCHEMBL28167692

C=C(C)C(=O)OCCOC(=O)C(N=Nc1ccc(O)cc1)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 4/20 0.34
GLB1 P16278 1/20 0.32
CTRB1 P17538 1/20 0.32
CTRC Q99895 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ESR1 P03372 2/20 0.31

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
SCHEMBL28848848 0.84 MAPT (0.47) THRBNPC1LMNAMAPTHPGD
SCHEMBL28966853 0.74 HTT (0.61) NPC1LMNAMAPTHPGDNFKB1
SCHEMBL4701487 0.73 NPC1 (0.39) NPC1LMNAMAPTHPGDNFKB1
SCHEMBL5698975 0.73 NPC1 (0.46) NPC1LMNAMAPTHPGDNFKB1
SCHEMBL1119186 0.71 NPC1 (0.51) THRBNPC1MAPTRAB9ATDP1
SCHEMBL20828630 0.71 POLB (0.57) THRBTDP1POLBAPEX1HTT
SCHEMBL20866071 0.70 SLC7A5 (0.51) THRBESR1SLC6A2ESR2
SCHEMBL4580087 0.70 POLB (0.60) THRBMAPTTDP1POLBAPEX1
SCHEMBL4541500 0.70 ESR1 (0.62) THRBNPC1LMNAMAPTRAB9A
SCHEMBL28694550 0.69 TSHR (0.49) THRBNPC1LMNAMAPTRAB9A

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
CN-103869623-B Coating composition 默克专利有限公司 2017-07-21 CN disclosed