SCHEMBL7935835

SCHEMBL7935835

CCOC(=O)c1cccc(CC(C)C)c1C(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
MAPK1 P28482 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ATM Q13315 1/20 0.48
HSD17B10 Q99714 1/20 0.47
CYP1A2 P05177 3/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL1971896 0.91 TSHR (0.51) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL11517527 0.89 ALDH1A1 (0.57) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL28682321 0.86 TSHR (0.59) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL1790360 0.86 TSHR (0.65) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL2137984 0.85 TSHR (0.63) TSHRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL4627588 0.85 ALDH1A1 (0.59) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL28146886 0.85 ALDH1A1 (0.59) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL28134121 0.83 TSHR (0.49) TSHRALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL560709 0.82 TSHR (0.73) TSHRALDH1A1SMN1; SMN2CA12CA1
SCHEMBL27839342 0.82 TSHR (0.54) TSHRALDH1A1SMN1; SMN2POLBMAPK1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4818799-A COORDINATION CATALYST ALSO COMPRISING AN ALKYL-ALUMINUM-ANTIOXIDENT TO RELEASE THE ANTIOXIDANT IN SITU SHELL OIL COMPANY (US) 1989-04-04 US claimed
EP-0601496-B2 Process for the preparation of olefin polymer MITSUI CHEMICALS INC (JP) 2001-06-27 EP disclosed
US-5844046-A Process for the preparation of olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-01 US disclosed
EP-0601496-B1 Process for the preparation of olefin polymer MITSUI PETROCHEMICAL IND (JP) 1997-04-16 EP disclosed
EP-0601496-A1 Process for the preparation of olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1994-06-15 EP disclosed
EP-0262790-B1 TRANSITION METAL CATALYST COMPONENT CONTAINING MAGNESIUM ALKOXY ALKOXIDES AKZO N.V. (NL) 1992-08-12 EP disclosed
US-4952649-A COORDINATION CATALYSTS USING BOTH AN ELECTRON DONOR AND ESTERS OF POLYCARBOXYLIC ACIDS; STEREOSPECIFIC; DURABILITY MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-08-28 US disclosed
EP-0320123-A2 Process for preparing stabilized olefin polymers SHELL OIL COMPANY (US) 1989-06-14 EP disclosed
EP-0262790-A2 Transition metal catalyst component containing magnesium alkoxy alkoxides AKZO N.V. (NL) 1988-04-06 EP disclosed
US-4698323-A Transition metal catalyst component containing magnesium alkoxy alkoxides STAUFFER CHEMICAL COMPANY (US) 1987-10-06 US disclosed