SCHEMBL6909225

SCHEMBL6909225

CCC(C)(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)(C)CC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
TSHR P16473 7/20 0.59
TDP1 Q9NUW8 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
CYP3A4 P08684 3/20 0.57
MAPK1 P28482 2/20 0.57
TP53 P04637 1/20 0.57
LMNA P02545 2/20 0.56
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL20282186 0.85 LMNA (0.64) ALDH1A1TSHRTDP1MAPK1LMNA
SCHEMBL4358182 0.84 ALDH1A1 (0.63) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL11517249 0.82 TSHR (0.60) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19433054 0.81 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL5269096 0.78 ALDH1A1 (0.56) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL20512191 0.78 ADRB2 (0.49) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL112063 0.77 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19066309 0.77 ALDH1A1 (1.00) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL4360501 0.77 TSHR (0.66) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL19954841 0.77 MAPT (0.50) ALDH1A1TSHRTDP1CYP3A4MAPK1

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 3 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
US-6323150-B1 CONTACTING LIQUID MAGNESIUM COMPOUNDS WITH A LIQUID TITANIUM COMPOUND TO PRECIPITATE A SOLID; REACTING WITH AN ELECTRON DONOR WHICH IS A POLYCARBOXYLIC ESTER OR A COMPOUND HAVING TWO OR MORE ETHER LINKAGES MITSUI CHEMICALS, INC. (JP) 2001-11-27 US 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