SCHEMBL4077419

SCHEMBL4077419

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

nearest known ligand 0.51

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
CA1 known ✓ P00915 2/20 0.37
CA2 known ✓ P00918 1/20 0.33
RECQL P46063 1/20 0.51
MAPT P10636 1/20 0.37
FAAH O00519 5/20 0.37
ACE2 Q9BYF1 1/20 0.36
TP53 P04637 1/20 0.34
LMNA P02545 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BIRC2 Q13490 1/20 0.33
KDM4E B2RXH2 1/20 0.33
DUSP3 P51452 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL10385633 0.90 RECQL (0.48) RECQLMAPTCYP3A4TSHR
SCHEMBL9939548 0.88 RECQL (0.43) RECQLLMNA
SCHEMBL9133441 0.87 RECQL (0.66) RECQLCA1MAPTFAAHACE2
SCHEMBL4077420 0.86 RECQL (0.64) RECQLCA1MAPTFAAHACE2
SCHEMBL10949425 0.86 RECQL (0.64) RECQLMAPTFAAHACE2TP53
SCHEMBL4070013 0.85 RECQL (0.71) RECQLMAPTFAAHLMNAALDH1A1
SCHEMBL7599709 0.84 RECQL (0.70) RECQLMAPTFAAHLMNAALDH1A1
SCHEMBL5154820 0.84 RECQL (0.70) RECQLMAPTFAAHLMNAALDH1A1
Docusate SCHEMBL14482029 0.83 RECQL (0.76) RECQLMAPTLMNAALDH1A1CYP3A4
Docusate SCHEMBL6239044 0.82 RECQL (0.74) RECQLMAPTLMNAALDH1A1CYP3A4

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