SCHEMBL4070013

SCHEMBL4070013

CCCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCCC)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.71

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 18)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 3/20 0.40
TLR4 known ✓ O00206 1/20 0.34
RECQL P46063 1/20 0.71
CYP3A4 P08684 4/20 0.51
TSHR P16473 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ATM Q13315 1/20 0.51
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
ALDH1A1 P00352 6/20 0.40
MAPK1 P28482 3/20 0.37
LMNA P02545 4/20 0.37
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.34
FAAH O00519 1/20 0.33
MAPT P10636 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
SCHEMBL5154820 0.99 RECQL (0.70) RECQLCYP3A4TSHRTDP1ATM
SCHEMBL7599709 0.99 RECQL (0.70) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL14482029 0.97 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL6239044 0.96 RECQL (0.74) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL3041223 0.96 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL4113 0.96 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL9722552 0.96 RECQL (0.78) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL23781730 0.95 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL21465350 0.95 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM
Docusate SCHEMBL22588804 0.95 RECQL (0.76) RECQLCYP3A4TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635543-B2 Lead-acid battery and manufacturing method thereof GS YUASA CORPORATION (JP) 2009-12-22 US disclosed
US-20070077497-A1 Lead-acid battery and manufacturing method thereof GS YUASA INTERNATIONAL LTD. (JP) 2007-04-05 US disclosed