SCHEMBL5690631

SCHEMBL5690631

CCCCCCCCCCCCCCCCC(CC(=O)[O-])C(=O)[O-].[Na+].[Na+]

nearest known ligand 0.75

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 10)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 2/20 0.75
CA1 known ✓ P00915 3/20 0.55
GPR84 Q9NQS5 8/20 0.53
NFKB1 P19838 3/20 0.52
CYP3A4 P08684 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL29053765 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL7704955 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL9158148 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL5012736 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL7704238 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL29176448 1.00 CA2 (0.75) CA2CA1GPR84NFKB1CYP3A4
Zinc Ion SCHEMBL8623779 0.96 CA2 (0.69) CA2CA1GPR84NFKB1CYP3A4
Lithium Ion SCHEMBL11432144 0.96 CA2 (0.69) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL27218453 0.96 CA2 (0.69) CA2CA1GPR84NFKB1CYP3A4
SCHEMBL9451802 0.96 CA2 (0.69) CA2CA1GPR84NFKB1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122060100-A Composite emulsifying system and PVB resin preparation method adopting same 南京工业大学 2026-05-19 CN disclosed
EP-1083258-B1 HYDROPHILIC FIBER TEIJIN LTD (JP) 2006-04-12 EP disclosed
US-6296933-B1 FOR USE AS MAKEUP PUFFS, WET TISSUES OR DRAINING BAGS, MEDICAL USES SUCH AS BASE FABRICS FOR FOMENTATIONS, AGRICULTURAL AND CIVIL ENGINEERING USES SUCH AS HYDROPONIC MATS OR DRAINING MATS, CLOTHING SUCH AS UNDERWEAR TEIJIN LIMITED (JP) 2001-10-02 US disclosed
EP-1083258-A1 HYDROPHILIC FIBER TEIJIN LIMITED (JP) 2001-03-14 EP disclosed