SCHEMBL945606

SCHEMBL945606

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2P(=O)([O-])[O-])c(P(=O)([O-])[O-])c(C(C)(C)C)c1.[Na+].[Na+].[Na+].[Na+]

nearest known ligand 0.32

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 13)

geneUniProtsupporting neighboursconfidence
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 1/20 0.32
CYP2C19 P33261 2/20 0.32
HSPA5 P11021 2/20 0.32
CYP2C9 P11712 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL316764 0.81 CYP2C19 (0.36) NR5A2NR5A1CYP2C19HSPA5CYP2C9
Phosphoric Acid SCHEMBL537669 0.79 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
Phosphoric Acid SCHEMBL30397166 0.79 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
SCHEMBL1892344 0.78 HMGCR (0.31) NR5A2NR5A1CYP2C19HSPA5
Phosphoric Acid SCHEMBL7731612 0.75 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
Phosphoric Acid SCHEMBL7731846 0.75 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
Phosphoric Acid SCHEMBL7732345 0.75 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
Phosphoric Acid SCHEMBL537648 0.75 HSPA5 (0.53) NR5A2NR5A1CYP2C19HSPA5CYP2C9
SCHEMBL20597506 0.73 CYP2C19 (0.36) CYP2C19HSPA5CYP2C9SMN1; SMN2HIF1A
SCHEMBL714574 0.72 CYP2C19 (0.38) NR5A2NR5A1CYP2C19HSPA5CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999144-B2 Decorative sheet and decorative panel DAI NIPPON PRINTING CO., LTD. (JP) 2024-06-04 US disclosed
EP-3590710-B1 DECORATIVE SHEET AND DECORATIVE PANEL DAINIPPON PRINTING CO LTD (JP) 2024-03-27 EP disclosed
US-10981364-B2 Decorated sheet TOPPAN PRINTING CO., LTD. (JP) 2021-04-20 US disclosed
US-20200055295-A1 DECORATIVE SHEET AND DECORATIVE PANEL DAI NIPPON PRINTING CO., LTD. (JP) 2020-02-20 US disclosed
US-20180186132-A1 DECORATED SHEET TOPPAN PRINTING CO., LTD. (JP) 2018-07-05 US disclosed
EP-3219488-A1 DECORATED SHEET Toppan Printing Co., Ltd. (JP) 2017-09-20 EP disclosed
US-20110005038-A1 BUTTON MADE OF BIOMASS MATERIAL AND METHOD FOR PRODUCING THE SAME TEIJIN LIMITED (JP) 2011-01-13 US disclosed
EP-2223622-A1 BUTTON MADE FROM BIOMASS RAW MATERIAL AND METHOD FOR PRODUCING THE SAME Teijin Limited (JP) 2010-09-01 EP disclosed