SCHEMBL527624

SCHEMBL527624

CCCCCCCC/C=C\CCCCCCCCNCCNCCNCCNCCN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
SLC6A5 Q9Y345 2/20 0.53
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
FAAH O00519 3/20 0.52
TRPV1 Q8NER1 1/20 0.52
TP53 P04637 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
SOAT1 P35610 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL7574269 1.00 PPARA (0.53) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL10939066 1.00 PPARA (0.53) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL7574261 1.00 PPARA (0.53) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL10519278 1.00 PPARA (0.53) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL10939057 1.00 PPARA (0.53) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL444325 0.98 PPARA (0.55) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL28367059 0.98 PPARA (0.55) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL11252789 0.98 PPARA (0.55) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL988694 0.98 PPARA (0.55) PPARASLC6A5ALDH1A1TSHRFAAH
SCHEMBL444322 0.98 PPARA (0.55) PPARASLC6A5ALDH1A1TSHRFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130112416-A1 Compositions and Methods for Protecting Metal Surfaces from Corrosion VARADARAJ RAMESH (US) 2013-05-09 US claimed
WO-2012015512-A1 COMPOSITIONS AND METHODS FOR PROTECTING METAL SURFACES FROM CORROSION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-02-02 WO claimed
JP-1098696-A None JP disclosed
US-20130112416-A1 Compositions and Methods for Protecting Metal Surfaces from Corrosion VARADARAJ RAMESH (US) 2013-05-09 US disclosed
US-20130112415-A1 Compositions and Methods for Protecting Metal Surfaces from Corrosion VARADARAJ RAMESH (US) 2013-05-09 US disclosed
US-20130112418-A1 Composition and Methods for Protecting Metal Surfaces from Corrosion VARADARAJ RAMESH (US) 2013-05-09 US disclosed
US-20130112417-A1 Compositions and Methods for Protecting Metal Surfaces from Corrosion VARADARAJ RAMESH (US) 2013-05-09 US disclosed
WO-2012015513-A1 COMPOSITIONS AND METHODS FOR PROTECTING METAL SURFACES FROM CORROSION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-02-02 WO disclosed
WO-2012015511-A1 COMPOSITIONS AND METHODS FOR PROTECTING METAL SURFACES FROM CORROSION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-02-02 WO disclosed
WO-2012015514-A1 COMPOSITIONS AND METHODS FOR PROTECTING METAL SURFACES FROM CORROSION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-02-02 WO disclosed
WO-2012015512-A1 COMPOSITIONS AND METHODS FOR PROTECTING METAL SURFACES FROM CORROSION EXXONMOBIL UPSTREAM RESEARCH COMPANY (US) 2012-02-02 WO disclosed
JP-H0198696-A WATER-SOLUBLE CUTTING OIL TOHO CHEM IND CO LTD 1989-04-17 JP disclosed
JP-H00198696-A 0001-01-01 JP disclosed