SCHEMBL28034809

SCHEMBL28034809

C=C(C)C(=O)OOC(=O)c1ccccc1C(=O)OCCCO

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.53
TDP1 Q9NUW8 5/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
CYP3A4 P08684 3/20 0.51
MAPK1 P28482 2/20 0.51
TP53 P04637 1/20 0.51
ALDH1A1 P00352 7/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
PTGS2 P35354 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL27667818 0.89 TSHR (0.69) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL31304736 0.89 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5416441 0.87 TSHR (0.54) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27979496 0.86 TSHR (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27686816 0.86 ALDH1A1 (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL30730734 0.82 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL466072 0.82 TSHR (0.66) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2532109 0.82 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL645003 0.82 TSHR (0.62) TSHRTDP1L3MBTL1CYP3A4MAPK1
Methyl Alcohol SCHEMBL27495118 0.82 TSHR (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1

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-105008411-A BLOCKED ISOCYANATO GROUP-CONTAINING POLYMER, COMPOSITION CONTAINING POLYMER, AND APPLICATIONS THEREOF SHOWA DENKO KK 2015-10-28 CN disclosed