SCHEMBL1892344

SCHEMBL1892344

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(=O)([O-])[O-])c(OP(=O)([O-])[O-])c(C(C)(C)C)c1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.31

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 8)

geneUniProtsupporting neighboursconfidence
HMGCR known ✓ P04035 2/20 0.31
PPARG known ✓ P37231 1/20 0.30
NR5A2 O00482 1/20 0.31
NR5A1 Q13285 1/20 0.31
HSPA5 P11021 1/20 0.30
CYP2C19 P33261 1/20 0.30
RARG P13631 1/20 0.30
RXRA P19793 1/20 0.30

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
SCHEMBL29387295 0.92 HSPA5 (0.44) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL538260 0.92 HSPA5 (0.44) HMGCRNR5A2NR5A1HSPA5CYP2C19
Lithium Ion SCHEMBL30175563 0.91 HSPA5 (0.43) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL30175559 0.91 HSPA5 (0.43) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL538477 0.91 HSPA5 (0.43) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL29407271 0.91 HSPA5 (0.43) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL2334329 0.84 INPPL1 (0.36) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL29612109 0.84 INPPL1 (0.36) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL35073 0.83 INPPL1 (0.35) HMGCRNR5A2NR5A1HSPA5CYP2C19
SCHEMBL20299525 0.83 INPPL1 (0.35) HMGCRNR5A2NR5A1HSPA5CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403956-B2 Incipient wetness method to enhance productivity of supported Ziegler-Natta catalysts EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-08-02 US disclosed
EP-2953986-A1 INCIPIENT WETNESS METHOD TO ENHANCE PRODUCTIVITY OF SUPPORTED ZIEGLER-NATTA CATALYSTS ExxonMobil Chemical Patents Inc. (US) 2015-12-16 EP disclosed
US-9000106-B2 Copolymer production system and process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2015-04-07 US disclosed
WO-2014123684-A1 INCIPIENT WETNESS METHOD TO ENHANCE PRODUCTIVITY OF SUPPORTED ZIEGLER-NATTA CATALYSTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2014-08-14 WO disclosed
US-20140221515-A1 Incipient Wetness Method to Enhance Productivity of Supported Ziegler-Natta Catalysts EXXONMOBIL CHEMICAL PATENTS INC. 2014-08-07 US disclosed
US-20130296506-A1 Copolymer Production System and Process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-11-07 US disclosed
US-8076419-B2 Method for making propylene impact copolymers with balanced impact strength and stiffness EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-12-13 US disclosed
US-20110105690-A1 Method for Making Propylene Impact Copolymers with Balanced Impact Strength and Stiffness EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-05 US disclosed
US-7851554-B2 Propylene impact copolymers with balanced impact strength and stiffness EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-12-14 US disclosed
US-20100105848-A1 Propylene Impact Copolymers With Balanced Impact Strength And Stiffness EXXONMOBIL CHEMICAL PATENTS INC. 2010-04-29 US disclosed
EP-1546245-A2 POLYOLEFIN COMPOSITIONS EXHIBITING ENHANCED STAIN RESISTANCE Sunoco, Inc. (R&M) (US) 2005-06-29 EP disclosed
US-20040171724-A1 Polyolefin compositions exhibiting enhanced stain resistance SEIP STEVEN D (US) 2004-09-02 US disclosed
WO-2004031279-A2 POLYOLEFIN COMPOSITIONS EXHIBITING ENHANCED STAIN RESISTANCE SUNOCO, INC. (R & M) (US) 2004-04-15 WO disclosed