SCHEMBL8378952

SCHEMBL8378952

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

nearest known ligand 0.67

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
CA1 known ✓ P00915 3/20 0.67
CA2 known ✓ P00918 1/20 0.46
NFKB1 P19838 1/20 0.52
GPR84 Q9NQS5 1/20 0.50
KDM4C Q9H3R0 2/20 0.46
KDM4A O75164 1/20 0.46
PHF8 Q9UPP1 1/20 0.46
KDM2A Q9Y2K7 1/20 0.46
BBOX1 O75936 2/20 0.45
FABP3 P05413 3/20 0.44

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
SCHEMBL29457257 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL11656700 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL10815605 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL28808939 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL10406238 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL29662052 1.00 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
SCHEMBL303601 0.98 CA1 (0.70) CA1NFKB1GPR84CA2KDM4C
Zinc Ion SCHEMBL27829213 0.95 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
Methyl Alcohol SCHEMBL27994833 0.95 CA1 (0.67) CA1NFKB1GPR84CA2KDM4C
Potassium Ion SCHEMBL25191979 0.95 CA1 (0.62) CA1NFKB1GPR84KDM4CKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0905264-A1 Recovery of precious metal HENKEL CORPORATION (US) 1999-03-31 EP claimed
EP-0630418-A1 RECOVERY OF PRECIOUS METAL HENKEL CORPORATION (US) 1994-12-28 EP claimed
US-5340380-A Using ion exchange resin with guanidine funcionality, eluting with caustic containing acid salt modifiers; gold and silver HENKEL CORPORATION (US) 1994-08-23 US claimed
WO-1993019212-A2 RECOVERY OF PRECIOUS METAL HENKEL CORPORATION (US) 1993-09-30 WO claimed
US-4097403-A SORBITOL MODIFIED POLYOXYETHYLENE GLYCOL ISOALKANOATE KAO SOAP CO., LTD. (JA) 1978-06-27 US claimed
EP-0905264-A1 Recovery of precious metal HENKEL CORPORATION (US) 1999-03-31 EP disclosed