SCHEMBL6314726

SCHEMBL6314726

CCCCCCCCCCCCCCCCCCC(C)(OC(=O)C(C)O)C(=O)[O-].CCCCCCCCCCCCCCCCCCC(C)(OC(=O)C(C)O)C(=O)[O-].[Ca+2]

nearest known ligand 0.40

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.40
MAPT P10636 2/20 0.38
CA2 P00918 1/20 0.38
GPR84 Q9NQS5 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 2/20 0.34
CES2 O00748 1/20 0.34
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33

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
SCHEMBL3249951 1.00 CA1 (0.40) CA1MAPTCA2GPR84MEN1
SCHEMBL3365188 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3245650 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3246038 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
Potassium Ion SCHEMBL3366858 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL5706474 0.98 CA1 (0.41) CA1MAPTCA2GPR84MEN1
SCHEMBL3241594 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
Lithium Ion SCHEMBL3369017 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3366160 0.98 CA1 (0.39) CA1MAPTCA2GPR84MEN1
SCHEMBL3367432 0.98 CA1 (0.41) CA1MAPTCA2GPR84MEN1

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-6908635-B2 Flat plate flaking device CARGILL, INC. (US) 2005-06-21 US disclosed
US-20030039734-A1 Cooling plates; solidification of fats HUXEL EDWARD T (US) 2003-02-27 US disclosed
EP-0188318-B1 DOUGH IMPROVER KYOWA HAKKO KOGYO CO., LTD. (JP) 1991-08-07 EP disclosed
EP-0188318-A2 Dough improver KYOWA HAKKO KOGYO CO., LTD. (JP) 1986-07-23 EP disclosed
US-4537784-A COATING LACTIC ACID ONTO CALCIUM LACTATE CARRIERS AND ENCAPSULATING WITH MOLTEN LIPID SCM CORPORATION (US) 1985-08-27 US disclosed
US-4511584-A LACTIC ACID PLATED ON CALCIUM LACTATE CARRIER SCM CORPORATION (US) 1985-04-16 US disclosed
US-3985913-A Condiment encapsulation by spray drying SCM CORPORATION (US) 1976-10-12 US disclosed
US-3973053-A Process for tempering beaded fat quickly SCM CORPORATION (US) 1976-08-03 US disclosed
US-3949094-A Condiment-treating process and product SCM CORPORATION (US) 1976-04-06 US disclosed
US-3949096-A Spray drying process for encapsulation of condiment particles SCM CORPORATION (US) 1976-04-06 US disclosed