SCHEMBL11233501

SCHEMBL11233501

O=C([O-])C(O)C(O)P(=O)(O)O.O=C([O-])C(O)C(O)P(=O)(O)O.O=C([O-])C(O)C(O)P(=O)(O)O.[Na+].[Na+].[Na+]

nearest known ligand 0.39

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
CA4 known ✓ P22748 1/20 0.33
LMNA P02545 4/20 0.38
TSHR P16473 2/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PGD P52209 1/20 0.31

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
SCHEMBL5678635 1.00 LMNA (0.38) LMNACA4TSHRMEN1HPGD
SCHEMBL8104683 0.95 LMNA (0.33) LMNATSHRMEN1HPGDBLM
SCHEMBL20493915 0.95 LMNA (0.33) LMNATSHRMEN1HPGDBLM
SCHEMBL20798105 0.78 TSHR (0.50) LMNATSHRMEN1HPGDBLM
SCHEMBL27481 0.78 TSHR (0.50) LMNATSHRMEN1HPGDBLM
Cadaverine Tartrate SCHEMBL6685613 0.78 LMNA (0.41) LMNACA4TSHRMEN1BLM
SCHEMBL8884865 0.76 TSHR (0.47) LMNATSHRMEN1HPGDBLM
Water SCHEMBL5002268 0.76 TSHR (0.47) LMNATSHRMEN1HPGDBLM
SCHEMBL16058860 0.76 TSHR (0.47) LMNATSHRMEN1HPGDBLM
Cadaverine Tartrate SCHEMBL28726993 0.76 LMNA (0.43) LMNACA4TSHRMEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4352881-A Method of measuring creatine kinase activity MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1982-10-05 US disclosed