SCHEMBL31473335

SCHEMBL31473335

O=P([O-])([O-])OC1CCCCCCCCCCCCC1.[Na+].[Na+]

nearest known ligand 0.50

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 17)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 2/20 0.36
CA2 known ✓ P00918 2/20 0.36
CA12 known ✓ O43570 2/20 0.30
ACHE P22303 1/20 0.50
NPSR1 Q6W5P4 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
EPHX1 P07099 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
CA9 Q16790 2/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL31307956 1.00 ACHE (0.50) ACHENPSR1MEN1KMT2ALMNA
Zinc Ion SCHEMBL10768784 0.97 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL31307959 0.95 ACHE (0.47) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL31474639 0.87 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11705645 0.82 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11608393 0.82 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
Potassium Ion SCHEMBL28287967 0.82 ACHE (0.48) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL28364619 0.80 ACHE (0.42) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11702587 0.79 ACHE (0.45) ACHENPSR1MEN1KMT2ALMNA
SCHEMBL11603446 0.79 ACHE (0.45) ACHENPSR1MEN1KMT2ALMNA

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
CN-119591634-A Method for regulating and controlling solubility of disodium mono-tetradecyl phosphate by pH 江南大学 2025-03-11 CN disclosed