SCHEMBL5592373

SCHEMBL5592373

C[C@H](NCC1CCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
CYP2D6 P10635 1/20 0.38
EPHX1 P07099 3/20 0.37
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
EPHX2 P34913 1/20 0.36
OPRK1 P41145 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35

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
SCHEMBL5592372 1.00 LTA4H (0.41) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL22413011 0.96 LTA4H (0.44) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL22413014 0.96 LTA4H (0.44) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL4620202 0.94 LTA4H (0.47) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL4620196 0.94 LTA4H (0.47) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL4619210 0.94 LTA4H (0.47) LTA4HCYP2D6EPHX1ADH1BADH1C
SCHEMBL1377279 0.92 SIGMAR1 (0.42) LTA4HSIGMAR1MMEACECPA1
SCHEMBL1377280 0.92 SIGMAR1 (0.42) LTA4HSIGMAR1MMEACECPA1
SCHEMBL31654141 0.83 PIK3CD (0.37) LTA4HSIGMAR1MMEACECPA1
SCHEMBL23080195 0.81 ADH1B (0.38) CYP2D6EPHX1ADH1BADH1CADH1A

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-2007006714-A1 CYSTEINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2007-01-18 WO disclosed