SCHEMBL2802375

SCHEMBL2802375

CCP(=O)([O-])OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.CCP(=O)([O-])OCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ca+2]

nearest known ligand 0.51

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 20)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 4/20 0.51
GABBR2 known ✓ O75899 1/20 0.41
GABBR1 known ✓ Q9UBS5 1/20 0.41
NR1I2 O75469 1/20 0.48
KMT2A Q03164 5/20 0.43
GAA P10253 4/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
MAPK1 P28482 3/20 0.42
MAPT P10636 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
BLM P54132 2/20 0.42
ATM Q13315 2/20 0.42
HIF1A Q16665 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
USP2 O75604 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 3/20 0.41

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
SCHEMBL425230 0.97 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
Potassium Ion SCHEMBL5912028 0.97 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL27292871 0.86 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL939702 0.84 HMGCR (0.57) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL30609756 0.83 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL27828580 0.83 HMGCR (0.55) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL3164387 0.83 HMGCR (0.55) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL3164392 0.83 HMGCR (0.55) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL29120699 0.82 HMGCR (0.51) HMGCRNR1I2KMT2AGAAMEN1
SCHEMBL5709910 0.82 HMGCR (0.50) HMGCRNR1I2KMT2AGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163008-A1 POLYETHYLENE-BASED RESIN FOAMED PARTICLES, POLYETHYLENE-BASED RESIN IN-MOLD-FOAM-MOLDED BODY, AND METHOD FOR PRODUCING POLYETHYLENE-BASED RESIN FOAMED PARTICLES KANEKA CORPORATION (JP) 2018-06-14 US disclosed
US-9309384-B2 Polyethylene resin foamed particles, polyethylene resin in-mold foam molded article, and method for producing polyethylene resin foamed particles KANEKA CORPORATION (JP) 2016-04-12 US disclosed
EP-2684910-B1 POLYETHYLENE RESIN FOAMED PARTICLES, POLYETHYLENE RESIN IN-MOLD FOAM MOLDED ARTICLE, AND METHOD FOR PRODUCING POLYETHYLENE RESIN FOAMED PARTICLES KANEKA CORP (JP) 2016-02-24 EP disclosed
US-20150240043-A1 POLYETHYLENE-BASED RESIN FOAMED PARTICLES, POLYETHYLENE-BASED RESIN IN-MOLD-FOAM-MOLDED BODY, AND METHOD FOR PRODUCING POLYETHYLENE-BASED RESIN FOAMED PARTICLES KANEKA CORPORATION (JP) 2015-08-27 US disclosed
EP-2684910-A1 POLYETHYLENE RESIN FOAM PARTICLES, POLYETHYLENE RESIN IN-MOLD FOAM MOLDED BODY, AND METHOD FOR PRODUCING POLYETHYLENE RESIN FOAM PARTICLES Kaneka Corporation (JP) 2014-01-15 EP disclosed
US-20130338246-A1 POLYETHYLENE RESIN FOAMED PARTICLES, POLYETHYLENE RESIN IN-MOLD FOAM MOLDED ARTICLE, AND METHOD FOR PRODUCING POLYETHYLENE RESIN FOAMED PARTICLES KANEKA CORPORATION (JP) 2013-12-19 US disclosed
US-8273273-B2 Manufacturing method for optical film KONICA MINOLTA OPTO, INC. (JP) 2012-09-25 US disclosed
US-20100239789-A1 Optical Film, Manufacturing Method for Optical Film, Polarizing Plate and Liquid Crystal Display Device KONICA MINOLTA OPTO, INC. (JP) 2010-09-23 US disclosed
US-5972273-A Method for producing a homogeneous polycarbonate composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-10-26 US disclosed
US-5912289-A TERMINAL ARYL CARBONATE END GROUPS; DISCOLORATION INHIBITION; ESTER INTERCHANGE; CHLORINE-FREE ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-06-15 US disclosed
US-5852156-A Polycarbonate composition ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-12-22 US disclosed