SCHEMBL5167672

SCHEMBL5167672

CCCCCCCCCCC(C(=O)OC)S(=O)(=O)O.CCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O.CCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O.CCCCCCCCCCC(C(=O)[O-])S(=O)(=O)O.[Na+].[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 20)

geneUniProtsupporting neighboursconfidence
CA2 known ✓ P00918 4/20 0.46
CA1 known ✓ P00915 3/20 0.44
CA12 known ✓ O43570 1/20 0.37
ZDHHC7 Q9NXF8 1/20 0.47
MMP9 P14780 3/20 0.42
MMP13 P45452 3/20 0.42
ADAM17 P78536 2/20 0.42
MMP1 P03956 2/20 0.42
GPR84 Q9NQS5 1/20 0.40
ABCB1 P08183 1/20 0.39
RECQL P46063 1/20 0.39
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
BIRC2 Q13490 1/20 0.37
NFKB1 P19838 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL2760851 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8629278 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8028639 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8626292 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8012303 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL7853583 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8630360 0.91 ZDHHC7 (0.56) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL69695 0.89 ZDHHC7 (0.54) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL8683345 0.89 ZDHHC7 (0.54) ZDHHC7CA2CA1MMP9MMP13
SCHEMBL7199656 0.89 ZDHHC7 (0.54) ZDHHC7CA2CA1MMP9MMP13

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-20070092457-A1 Compositions comprising polymeric emulsifiers and methods of using the same JOHNSON & JOHNSON CONSUMER, COMPANIES, INC. 2007-04-26 US disclosed
US-20070092458-A1 Compositions comprising polymeric emulsifiers and methods of using the same JOHNSON & JOHNSON CONSUMER COMPANIES, INC. 2007-04-26 US disclosed
EP-1776985-A2 Compositions comprising polymeric emulsifiers and methods of using the same Johnson and Johnson Consumer Companies, Inc. (US) 2007-04-25 EP disclosed
EP-1776986-A2 Sunscreen compositions comprising polymeric emulsifiers and methods of using the same Johnson and Johnson Consumer Companies, Inc. (US) 2007-04-25 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070092458-A1 Compositions comprising polymeric emulsifiers and methods of using the same TP53, ERCC1, POLQ CA2 4244/4885CA1 4706/4885CA12 3494/4885
US-20070092457-A1 Compositions comprising polymeric emulsifiers and methods of using the same TP53, ERCC1, POLQ CA2 4244/4885CA1 4706/4885CA12 3494/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.