SCHEMBL17301653

SCHEMBL17301653

C=C1C(=O)OC2C1CCC1(C)CCCC(=C)C21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.52
NLRP3 Q96P20 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
STAT3 P40763 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PKM P14618 5/20 0.50
CYP19A1 P11511 3/20 0.46
ALDH1A1 P00352 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 3/20 0.43
NFKB1 P19838 2/20 0.43
CYP1A2 P05177 2/20 0.43
STAT6 P42226 2/20 0.43
MAPT P10636 2/20 0.43
CASP1 P29466 1/20 0.43
PTGS2 P35354 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 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
SCHEMBL15941718 1.00 CYP3A4 (0.52) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
SCHEMBL22235454 0.76 PKM (0.52) CYP3A4NLRP3CYP2D6TDP1PKM
SCHEMBL17085505 0.76 PKM (0.52) CYP3A4NLRP3CYP2D6TDP1PKM
Reynosin SCHEMBL1683362 0.76 PKM (0.51) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
Reynosin SCHEMBL28633984 0.76 PKM (0.51) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
Reynosin SCHEMBL1683363 0.76 PKM (0.51) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
SCHEMBL21563385 0.75 UBE2D3 (0.49) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
Isoalantolactone SCHEMBL15944432 0.69 NLRP3 (1.00) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
Isoalantolactone SCHEMBL8223246 0.69 NLRP3 (1.00) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19
Isoalantolactone SCHEMBL14029266 0.69 NLRP3 (1.00) CYP3A4NLRP3CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11540539-B2 Reduced sodium food products GENERAL MILLS, INC. (US) 2023-01-03 US disclosed
US-20200281236-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2020-09-10 US disclosed
EP-3366677-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2020-09-09 EP disclosed
EP-3466930-A1 REDUCED SODIUM FOOD PRODUCT GENERAL MILLS, INC. (US) 2019-04-10 EP disclosed
US-20190090520-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2019-03-28 US disclosed
EP-2954037-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed
EP-2956440-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed
EP-2953934-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed
US-20150374021-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. 2015-12-31 US disclosed
US-20150374021-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. 2015-12-31 US disclosed
US-20150342233-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2015-12-03 US disclosed
US-20150342233-A1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2015-12-03 US disclosed