SCHEMBL752424

SCHEMBL752424

C=C1CC(C(=O)OC(C)(C)C)N(C(=O)O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.36
PTPN1 P18031 1/20 0.32
HSD17B10 Q99714 1/20 0.31
MMP1 P03956 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30
MMP13 P45452 1/20 0.30
HRH3 Q9Y5N1 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
SCHEMBL2009986 0.87 PTPN1 (0.42) MAPK1PTPN1HSD17B10
SCHEMBL2009984 0.87 PTPN1 (0.42) MAPK1PTPN1HSD17B10
SCHEMBL201027 0.83 MMP2 (0.41) PTPN1MMP1MMP3MMP7MMP13
SCHEMBL22648657 0.83 MMP2 (0.41) PTPN1MMP1MMP3MMP7MMP13
SCHEMBL2534501 0.82 NR1D1 (0.32)
SCHEMBL12330397 0.81 ELANE (0.36) MAPK1PTPN1HRH3
SCHEMBL18089593 0.78 PTPN1 (0.51) PTPN1HSD17B10MMP1MMP3MMP7
SCHEMBL2531159 0.78 PTPN1 (0.51) PTPN1HSD17B10MMP1MMP3MMP7
SCHEMBL206327 0.78 PTPN1 (0.51) PTPN1HSD17B10MMP1MMP3MMP7
SCHEMBL206317 0.77 HSD17B10 (0.42) PTPN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 EP disclosed
WO-2010132601-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-11-18 WO disclosed