SCHEMBL27966321

SCHEMBL27966321

COC(=O)NC(CCCF)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 12/20 0.40
NOD1 Q9Y239 1/20 0.39
TGFBR1 P36897 1/20 0.38
RIMKLA Q8IXN7 1/20 0.37
NAALAD2 Q9Y3Q0 1/20 0.37
TGM2 P21980 3/20 0.37
GNPAT O15228 2/20 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
SCHEMBL17090704 0.85 CTSK (0.32)
SCHEMBL9716637 0.85 FOLH1 (0.51) FOLH1NOD1TGFBR1GNPAT
SCHEMBL27966162 0.85 CNR2 (0.38) FOLH1
SCHEMBL9716635 0.85 FOLH1 (0.51) FOLH1NOD1TGFBR1GNPAT
SCHEMBL9716631 0.85 FOLH1 (0.51) FOLH1NOD1TGFBR1GNPAT
SCHEMBL9698704 0.84 FOLH1 (0.58) FOLH1
SCHEMBL3435138 0.84 FOLH1 (0.58) FOLH1
SCHEMBL1951738 0.83 NOD1 (0.51) FOLH1NOD1
SCHEMBL29166088 0.83 TGFBR1 (0.43) FOLH1NOD1TGFBR1RIMKLANAALAD2
SCHEMBL1951736 0.83 NOD1 (0.51) FOLH1NOD1

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
CN-106588890-A Antiviral compounds 吉利德制药有限责任公司 2017-04-26 CN disclosed
CN-104230900-A Antiviral compounds GILEAD SCIENCES INC 2014-12-24 CN disclosed
CN-104211689-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed
CN-104211713-A Antiviral compounds GILEAD SCIENCES INC 2014-12-17 CN disclosed