SCHEMBL914484

SCHEMBL914484

CCC(c1cccc2ccccc12)P(=O)([O-])[O-].CCC(c1cccc2ccccc12)P(=O)([O-])[O-].[Mg+2].[Mg+2]

nearest known ligand 0.50

Known targets — ChEMBL curated mechanism

ATP4AATP4BGABBR1GABBR2HMGCR

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 9)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 5/20 0.50
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
ELANE P08246 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
SCHEMBL31688369 1.00 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL31688360 0.97 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
Lithium Ion SCHEMBL31688364 0.97 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL915431 0.97 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
Lithium Ion SCHEMBL914565 0.97 ACP3 (0.50) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL915642 0.82 ACP3 (0.68) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19
Magnesium SCHEMBL914486 0.81 ACP3 (0.66) ACP3
SCHEMBL31688363 0.77 GPR84 (0.42) ACP3ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL31688368 0.74 GPR84 (0.46) ACP3ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL430798 0.72 CYP2C9 (0.55) ACP3ALDH1A1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868126-B2 Process for producing polyester, polyester produced using said process, and polyester molded product TOYO BOSEKI KABUSHIKI KAISHA (JP) 2011-01-11 US disclosed
US-20080249280-A1 Process for Producing Polyester, Polyester Produced Using Said Process, and Polyester Molded Product TOYO BOSEKI KABUSHIKI KAISHA (JP) 2008-10-09 US disclosed
EP-1400549-A1 POLYMERIZATION CATALYST FOR POLYESTER, POLYESTER PRODUCED WITH THE SAME, AND PROCESS FOR PRODUCING POLYESTER Toyo Boseki Kabushiki Kaisha (JP) 2004-03-24 EP disclosed