SCHEMBL2280824

SCHEMBL2280824

CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)([O-])[O-].CC(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)([O-])[O-].[Ca+2].[Ca+2]

nearest known ligand 0.57

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 0.57
GABBR2 known ✓ O75899 1/20 0.46
GABBR1 known ✓ Q9UBS5 1/20 0.46
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
TSHR P16473 4/20 0.46
LMNA P02545 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
BLM P54132 2/20 0.46
ATM Q13315 2/20 0.46
HIF1A Q16665 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
GMNN O75496 1/20 0.46
TP53 P04637 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL1887921 1.00 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL5523318 0.97 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL2187676 0.84 HMGCR (0.60) HMGCRALDH1A1MEN1KMT2ATSHR
Calcium SCHEMBL2278710 0.83 HMGCR (0.58) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL1419607 0.80 HMGCR (0.52) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL28846430 0.78 HMGCR (0.60) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL9455202 0.77 MEN1 (0.58) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL1567923 0.77 MEN1 (0.58) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL39082 0.76 HMGCR (0.57) HMGCRALDH1A1MEN1KMT2ATSHR
SCHEMBL6370947 0.76 HMGCR (0.66) HMGCRALDH1A1MEN1KMT2ATSHR

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
EP-2035467-B1 PROCESS FOR DESACTIVATING POLYMERIZATION CATALYST USING PHOSPHORIC- OR PHOSPHONIC ACID SALTS AND A CATALYST DEACTIVATOR DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-31 EP claimed
US-20090209719-A1 NEUTRALIZATION OF DEACTIVATED POLYMERIZATION CATALYST USING PHOSPHORIC OR PHOSPHONIC ACID SALTS DOW GLOBAL TECHNOLOGIES INC. 2009-08-20 US claimed
EP-4522695-A1 PRESSURE SENSITIVE ADHESIVE CONTAINING LIQUID RESIN COMPRISING AN OLIGOESTER COMPOSITION Henkel AG & Co. KGaA (DE) 2025-03-19 EP disclosed
US-20250059410-A1 PRESSURE SENSITIVE ADHESIVE CONTAINING LIQUID RESIN COMPRISING AN OLIGOESTER COMPOSITION HENKEL AG & CO. KGAA (DE) 2025-02-20 US disclosed
WO-2023218010-A1 PRESSURE SENSITIVE ADHESIVE CONTAINING LIQUID RESIN COMPRISING AN OLIGOESTER COMPOSITION HENKEL AG & CO. KGAA (DE) 2023-11-16 WO disclosed
EP-2703420-B1 PHOTOCURABLE COMPOSITION THREE BOND FINE CHEMICAL CO LTD (JP) 2016-06-22 EP disclosed
US-9029435-B2 Photocurable composition THREE BOND FINE CHEMICAL CO., LTD. (JP) 2015-05-12 US disclosed
EP-2703420-A1 PHOTOCURABLE COMPOSITION Threebond Co., Ltd. (JP) 2014-03-05 EP disclosed
US-20140045963-A1 PHOTOCURABLE COMPOSITION THREE BOND CO., LTD. (JP) 2014-02-13 US disclosed
EP-2035467-B1 PROCESS FOR DESACTIVATING POLYMERIZATION CATALYST USING PHOSPHORIC- OR PHOSPHONIC ACID SALTS AND A CATALYST DEACTIVATOR DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-31 EP disclosed
US-7999046-B2 Use of a phosphoric- or phosphonic acid salt to neutralize or deactive catalyst in olefin polymerization reactor; reducing corrosion, plugging or fouling of olefin production DOW GLOBAL TECHNOLOGIES LLC (US) 2011-08-16 US disclosed
US-20090209719-A1 NEUTRALIZATION OF DEACTIVATED POLYMERIZATION CATALYST USING PHOSPHORIC OR PHOSPHONIC ACID SALTS DOW GLOBAL TECHNOLOGIES INC. 2009-08-20 US disclosed