SCHEMBL219740

SCHEMBL219740

CCCCCCCCCCOC(=O)C(CCC(C)C)(CC(=O)[O-])S(=O)(=O)O.[Na+]

nearest known ligand 0.35

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 16)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.33
CA2 known ✓ P00918 1/20 0.33
PPARG known ✓ P37231 1/20 0.32
NAAA Q02083 1/20 0.34
TSHR P16473 3/20 0.33
RECQL P46063 2/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
EPHX2 P34913 1/20 0.33
BLM P54132 1/20 0.33
GPR84 Q9NQS5 1/20 0.33
EPHX1 P07099 1/20 0.33
HTR2C P28335 1/20 0.32
MMP3 P08254 1/20 0.32
CES2 O00748 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
SCHEMBL18010665 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL3329233 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL9814071 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL18527025 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL198244 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL11051162 0.89 NAAA (0.38) NAAATSHRRECQLGLAHPGD
Methane SCHEMBL9838465 0.86 NAAA (0.35) NAAATSHRRECQLGLAHPGD
Potassium Ion SCHEMBL5028598 0.86 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL11420160 0.86 NAAA (0.35) NAAATSHRRECQLGLAHPGD
SCHEMBL721510 0.85 NAAA (0.39) NAAATSHRRECQLGLAHPGD

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-20120003503-A1 MAGNETIC RECORDING MEDIUM AND METHOD OF MANUFACTURING THE SAME FUJIFILM CORPORATION (JP) 2012-01-05 US disclosed