SCHEMBL2729136

SCHEMBL2729136

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

nearest known ligand 0.47

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 9)

geneUniProtsupporting neighboursconfidence
RECQL P46063 3/20 0.43
NAAA Q02083 1/20 0.43
TSHR P16473 3/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
EPHX2 P34913 1/20 0.42
BLM P54132 1/20 0.42
EPHX1 P07099 1/20 0.41

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
SCHEMBL31467542 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL208567 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL138400 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL1171007 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
Octane SCHEMBL7762184 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL8376551 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL6139132 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL4941649 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL401362 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD
SCHEMBL31196791 1.00 RECQL (0.43) RECQLNAAATSHRGLAHPGD

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
EP-2632427-B1 OPHTHALMIC COMPOSITIONS CONTAINING PROSTAGLANDINS OMNIVISION GMBH (DE) 2016-03-23 EP disclosed
EP-2632427-A1 OPHTHALMIC COMPOSITION Omnivision GmbH (DE) 2013-09-04 EP disclosed
EP-2452669-A1 Ophthalmic composition Omnivision GmbH (DE) 2012-05-16 EP disclosed
WO-2012055571-A1 OPHTHALMIC COMPOSITION OMNIVISION GMBH (DE) 2012-05-03 WO disclosed