SCHEMBL9970858

SCHEMBL9970858

C[C@]1(C(=O)O)CCCCC1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.36
F10 P00742 2/20 0.35
PTPN1 P18031 2/20 0.34
MMP2 P08253 1/20 0.34
PTPN2 P17706 1/20 0.34
CDC25B P30305 1/20 0.34
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL2124178 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL2124898 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL2124175 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL17784260 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL10303638 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
SCHEMBL2124177 1.00 FFAR3 (0.36) FFAR3F10PTPN1MMP2PTPN2
Hydrochloric Acid SCHEMBL2200798 0.96 LMNA (0.35) FFAR3F10PTPN1MMP2PTPN2
Hydrochloric Acid SCHEMBL2200794 0.96 LMNA (0.35) FFAR3F10PTPN1MMP2PTPN2
Acetic Acid SCHEMBL2201148 0.94 POLB (0.34) FFAR3F10PTPN1MMP2PTPN2
Acetic Acid SCHEMBL2201138 0.94 POLB (0.34) FFAR3F10PTPN1MMP2PTPN2

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
WO-2012083121-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed