SCHEMBL29272017

SCHEMBL29272017

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

nearest known ligand 0.46

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 8)

geneUniProtsupporting neighboursconfidence
CA1 known ✓ P00915 1/20 0.38
CA2 known ✓ P00918 1/20 0.35
RECQL P46063 1/20 0.46
ALDH1A1 P00352 1/20 0.41
ATM Q13315 1/20 0.39
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL1498017 1.00 RECQL (0.46) RECQLALDH1A1ATMCA1HPGD
SCHEMBL6138906 0.95 RECQL (0.44) RECQLCA1HPGDTSHR
SCHEMBL401362 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL208567 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL138400 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL6139132 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL8376551 0.94 RECQL (0.43) RECQLHPGDTSHR
Octane SCHEMBL7762184 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL4941649 0.94 RECQL (0.43) RECQLHPGDTSHR
SCHEMBL1171007 0.94 RECQL (0.43) RECQLHPGDTSHR

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
CN-118290672-A Acrylic ester graft copolymer with core-shell structure, preparation method thereof and application thereof as impact modifier 中化学科学技术研究有限公司 2024-07-05 CN claimed
CN-118290672-A Acrylic ester graft copolymer with core-shell structure, preparation method thereof and application thereof as impact modifier 中化学科学技术研究有限公司 2024-07-05 CN disclosed