SCHEMBL6908488

SCHEMBL6908488

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.68
ALDH1A1 P00352 5/20 0.68
CYP3A4 P08684 3/20 0.58
CA2 P00918 1/20 0.58
PRSS1 P07477 1/20 0.55
PRSS2 P07478 1/20 0.55
PRSS3 P35030 1/20 0.55
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 2/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.49
HSD17B10 Q99714 1/20 0.46
ADRB2 P07550 3/20 0.46
ADRB1 P08588 3/20 0.46
ADRB3 P13945 3/20 0.46
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
NPY1R P25929 1/20 0.43

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
SCHEMBL2865757 0.85 TSHR (0.72) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL4452946 0.84 TSHR (0.70) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL29368000 0.81 ALDH1A1 (0.76) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL420283 0.81 ALDH1A1 (0.76) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL42787 0.81 ALDH1A1 (1.00) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL29387332 0.81 ALDH1A1 (1.00) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL8144263 0.81 ALDH1A1 (1.00) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL15237076 0.80 TSHR (0.65) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL8466969 0.79 TSHR (0.75) TSHRALDH1A1CYP3A4CA2PRSS1
SCHEMBL27494884 0.79 ALDH1A1 (0.96) TSHRALDH1A1CYP3A4CA2PRSS1

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