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SCHEMBL18044129

SCHEMBL18044129

CCCCC(NC(=O)C(F)(F)F)C(=O)ON1C(=O)CCC1=O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDF Q9HBH1 1/20 0.37
▸ TAS1R3 Q7RTX0 4/20 0.36
▸ TAS1R1 Q7RTX1 4/20 0.36
▸ CTSK P43235 4/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ EPHX1 P07099 1/20 0.33
▸ MLYCD O95822 1/20 0.31
▸ ACE P12821 1/20 0.31
▸ CTSS P25774 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30

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
SCHEMBL4209003 0.86 CTSK (0.35) CTSKCTSS
SCHEMBL29973774 0.85 TAS1R3 (0.39) TAS1R3TAS1R1CTSKCA1CA2
SCHEMBL5492142 0.84 TAS1R3 (0.39) PDFTAS1R3TAS1R1CTSKCA1
SCHEMBL30804479 0.83 TAS1R3 (0.40) TAS1R3TAS1R1CA1CA2HDAC2
SCHEMBL8617019 0.81 CTSK (0.52) CTSKCTSS
SCHEMBL8618495 0.81 CTSK (0.38) TAS1R3TAS1R1CTSKACECTSS
SCHEMBL12636066 0.80 EPHX1 (0.31) EPHX1
SCHEMBL10359009 0.80 TGFBR1 (0.36) TAS1R3TAS1R1CTSKCA1CA2
SCHEMBL10349090 0.80 TAS1R3 (0.40) TAS1R3TAS1R1CTSKCTSSHDAC2
SCHEMBL6277860 0.79 NOD1 (0.38) PDFCTSKCA1CA2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125856-B1 PHOTOCLEAVABLE LABELED NUCLEOTIDES AND NUCLEOSIDES AND LABELED NUCLEOTIDES AND NUCLEOSIDES AND METHODS FOR THEIR USE IN DNA SEQUENCING LASERGEN INC (US) 2016-09-14 — — EP disclosed
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