SCHEMBL6911356

SCHEMBL6911356

CCCC(C)(C)COC(=O)c1ccccc1C(=O)OCC(C)(C)CCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.61
ALDH1A1 P00352 7/20 0.58
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 4/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
LMNA P02545 1/20 0.51
HSD17B10 Q99714 2/20 0.49
CA2 P00918 1/20 0.45
CDC25B P30305 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR1A P08908 1/20 0.44
CYP2D6 P10635 1/20 0.44
SCN1A P35498 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44

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
SCHEMBL2352608 0.90 TSHR (0.60) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL2354642 0.89 TSHR (0.61) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL11517249 0.86 TSHR (0.60) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL21771816 0.85 TSHR (0.54) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL21771825 0.84 TSHR (0.55) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL235587 0.82 ALDH1A1 (0.73) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL21143374 0.82 TSHR (0.55) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL6911577 0.81 TSHR (0.75) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL204881 0.80 TSHR (0.61) TSHRALDH1A1TDP1L3MBTL1CYP3A4
SCHEMBL28690053 0.78 TSHR (0.59) TSHRALDH1A1TDP1L3MBTL1CYP3A4

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
EP-0896969-B1 Process for preparing solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization process MITSUI CHEMICALS INC (JP) 2004-03-03 EP disclosed
EP-0896969-A1 Process for preparing solid titanium catalyst component, olefin polymerization catalyst, and olefin polymerization process Mitsui Chemicals, Inc. (JP) 1999-02-17 EP disclosed