SCHEMBL5200301

SCHEMBL5200301

O=[PH](O)C(O)c1ccccc1.[H+].[H+].[Na+]

nearest known ligand 0.43

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 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPK1 P28482 1/20 0.43
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL8492283 1.00 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
SCHEMBL9544281 1.00 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
Ammonia Solution, Strong SCHEMBL10442664 0.98 LMNA (0.41) LMNAMAPK1SRCCYP2D6CES2
SCHEMBL8858822 0.98 LMNA (0.44) LMNAMAPK1SRCCYP2D6CES2
SCHEMBL9540931 0.98 LMNA (0.44) LMNAMAPK1SRCCYP2D6CES2
Potassium Ion SCHEMBL9296986 0.95 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
Zinc Ion SCHEMBL7745848 0.95 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
Ammonia Solution, Strong SCHEMBL21495185 0.95 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
Water SCHEMBL21046213 0.95 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2
Ammonia Solution, Strong SCHEMBL9515772 0.95 LMNA (0.43) LMNAMAPK1SRCCYP2D6CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992016262-A1 IMMOBILIZATION OF LEAD IN SOLID RESIDUES FROM RECLAIMING METALS WHEELABRATOR ENVIRONMENTAL SYSTEMS, INC. (US) 1992-10-01 WO claimed
EP-0404226-A1 Process for purifying products containing esters of a non-reducing sugar and one or more fatty acids COÖPERATIEVE VERENIGING SUIKER UNIE U.A. (NL) 1990-12-27 EP claimed
EP-1817049-A1 SOLUBLE, STABLE INSULIN-CONTAINING FORMULATIONS WITH A PROTAMINE SALT NOVO NORDISK A/S (DK) 2007-08-15 EP disclosed
WO-2006053906-A1 SOLUBLE, STABLE INSULIN-CONTAINING FORMULATIONS WITH A PROTAMINE SALT NOVO NORDISK A/S (DK) 2006-05-26 WO disclosed
EP-0730601-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1996-09-11 EP disclosed
WO-1995014028-A9 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS 1995-08-10 WO disclosed
WO-1995014028-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT AND PROPHYLAXIS OF BACTERIAL INFECTIONS WASHINGTON UNIVERSITY (US) 1995-05-26 WO disclosed
EP-0398130-A2 Heat-resistant expansive member NIPPON PILLAR PACKING CO. LTD. (JP) 1990-11-22 EP disclosed
EP-0230214-A2 Process for the preparation of substantially crystalline calcium sodium metaphosphate Monsanto Company (US) 1987-07-29 EP disclosed
EP-0227630-A2 Process for the preparation of substantially crystalline calcium sodium metaphosphate Monsanto Company (US) 1987-07-01 EP disclosed