SCHEMBL5498867

SCHEMBL5498867

CCCCCCCC[Sn](CCCCCCCC)(OC(=O)c1ccccc1)O[Sn](CCCCCCCC)(CCCCCCCC)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.46
CES1 P23141 3/20 0.46
LMNA P02545 3/20 0.46
NAAA Q02083 1/20 0.45
TSHR P16473 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CETP P11597 1/20 0.39

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
SCHEMBL2120697 0.94 LMNA (0.49) CES2CES1LMNANAAATSHR
SCHEMBL27954088 0.87 LMNA (0.51) CES2CES1LMNANAAATSHR
Benzoic Acid SCHEMBL5496876 0.84 CES2 (0.39) CES2CES1LMNANAAATSHR
SCHEMBL3093634 0.82 ALDH1A1 (0.48) CES2CES1LMNATSHRALDH1A1
SCHEMBL409199 0.78 LMNA (0.51) CES2CES1LMNANAAATSHR
Benzoic Acid SCHEMBL28829937 0.77 TP53 (0.50) CES2CES1NAAATSHRALDH1A1
SCHEMBL11132782 0.75 LMNA (0.49) CES2CES1LMNANAAATSHR
Benzoyl Peroxide SCHEMBL11605837 0.75 LMNA (0.71) CES2CES1LMNANAAATSHR
Ethyl Benzoate SCHEMBL27281972 0.74 LMNA (0.65) CES2CES1LMNANAAATSHR
Methyl Benzoate SCHEMBL27282859 0.73 TSHR (0.76) CES2CES1LMNANAAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776903-B1 Process for the production of sucrose-6-ester. MCNEIL PPC INC (US) 2003-01-29 EP claimed
EP-0776903-A1 Improved sucrose-6-ester process McNEIL-PPC, INC. (US) 1997-06-04 EP claimed
US-5470969-A Catalyzed sucrose-6-ester process MCNEIL-PPC, INC. (US) 1995-11-28 US claimed
EP-0475619-B1 Catalyzed sucrose-6-ester process MCNEIL PPC INC (US) 1995-10-11 EP claimed
EP-0509437-B1 Electrocoating composition KANSAI PAINT CO LTD (JP) 1995-01-25 EP claimed
EP-0509437-A1 Electrocoating composition KANSAI PAINT CO., LTD. (JP) 1992-10-21 EP claimed
EP-0475619-A1 Catalyzed sucrose-6-ester process McNEIL-PPC, INC. (US) 1992-03-18 EP claimed
EP-1000985-B1 CATIONIC ELECTRODEPOSITION COATING COMPOSITION KANSAI PAINT CO LTD (JP) 2007-02-14 EP disclosed
EP-0776903-B1 Process for the production of sucrose-6-ester. MCNEIL PPC INC (US) 2003-01-29 EP disclosed
US-6265079-B1 RESIN CONTAINING BISMUTH LACTATE OR METHOXYACETATE KANSAI PAINT CO., LTD. (JP) 2001-07-24 US disclosed
EP-1000985-A1 CATIONIC ELECTRODEPOSITION COATING COMPOSITION KANSAI PAINT CO., LTD. (JP) 2000-05-17 EP disclosed
EP-0595341-B1 Electrodeposition paint composition KANSAI PAINT CO LTD (JP) 1997-01-29 EP disclosed
US-5389140-A Comprising titania pigment with coating complex of zinc oxide and alumina; amine-epoxy resin adduct base KANSAI PAINT CO., LTD. (JP) 1995-02-14 US disclosed
EP-0509437-B1 Electrocoating composition KANSAI PAINT CO LTD (JP) 1995-01-25 EP disclosed
EP-0595341-A2 Electrodeposition paint composition KANSAI PAINT CO., LTD. (JP) 1994-05-04 EP disclosed
US-5298148-A Containing lanthanum compound, corrosion resistance without lead or chromium pigments KANSAI PAINT CO., LTD. (JP) 1994-03-29 US disclosed
EP-0509437-A1 Electrocoating composition KANSAI PAINT CO., LTD. (JP) 1992-10-21 EP disclosed