SCHEMBL18010665

SCHEMBL18010665

CCCCCCCCCCCCOC(=O)C(CCCCC)(CC(=O)[O-])S(=O)(=O)O.[Na+]

nearest known ligand 0.40

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 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.38
TSHR P16473 4/20 0.37
RECQL P46063 2/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
EPHX2 P34913 1/20 0.37
BLM P54132 1/20 0.37
EPHX1 P07099 1/20 0.36
HTR2C P28335 1/20 0.35
CES2 O00748 2/20 0.35
HCAR2 Q8TDS4 1/20 0.34
RAD52 P43351 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAAH O00519 1/20 0.33

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
SCHEMBL9814071 1.00 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL11051162 1.00 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL3329233 1.00 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL18527025 1.00 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL198244 1.00 NAAA (0.38) NAAATSHRRECQLGLAHPGD
Methane SCHEMBL9838465 0.97 NAAA (0.35) NAAATSHRRECQLGLAHPGD
SCHEMBL11420160 0.97 NAAA (0.35) NAAATSHRRECQLGLAHPGD
Potassium Ion SCHEMBL5028598 0.97 NAAA (0.38) NAAATSHRRECQLGLAHPGD
SCHEMBL28517091 0.90 MEN1 (0.43) TSHRRECQLGLAHPGDMAPK1
SCHEMBL721510 0.90 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9820517-B2 Carboxylic acid-modified nitrile-based copolymer latex composition, preparation method thereof, and latex composition for dip molding including the same LG CHEM. LTD. (KR) 2017-11-21 US claimed
US-20160244575-A1 CARBOXYLIC ACID-MODIFIED NITRILE-BASED COPOLYMER LATEX COMPOSITION, PREPARATION METHOD THEREOF, AND LATEX COMPOSITION FOR DIP MOLDING INCLUDING THE SAME LG CHEM, LTD. (KR) 2016-08-25 US claimed
US-9820517-B2 Carboxylic acid-modified nitrile-based copolymer latex composition, preparation method thereof, and latex composition for dip molding including the same LG CHEM. LTD. (KR) 2017-11-21 US disclosed
US-20160244575-A1 CARBOXYLIC ACID-MODIFIED NITRILE-BASED COPOLYMER LATEX COMPOSITION, PREPARATION METHOD THEREOF, AND LATEX COMPOSITION FOR DIP MOLDING INCLUDING THE SAME LG CHEM, LTD. (KR) 2016-08-25 US disclosed