SCHEMBL5489951

SCHEMBL5489951

CC(C)C[C@H](C(=O)N1CCNC[C@@]1(C)c1ccc2c(c1)CCO2)[C@H](O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
SLC6A2 P23975 6/20 0.33
SLC6A4 P31645 6/20 0.33
CLK1 P49759 2/20 0.32
DYRK1A Q13627 2/20 0.32
CLK4 Q9HAZ1 2/20 0.32
DYRK1B Q9Y463 2/20 0.32
P2RX3 P56373 2/20 0.31
SIGMAR1 Q99720 1/20 0.31
FFAR1 O14842 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
FABP4 P15090 1/20 0.30
ACACB O00763 1/20 0.30
CHRM5 P08912 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
SCHEMBL5485913 0.91 MMP2 (0.38) TAS1R3TAS1R1SLC6A2SLC6A4CLK1
SCHEMBL5419543 0.87 ALDH1A1 (0.35) TAS1R3TAS1R1SLC6A4CHRM5
SCHEMBL5384481 0.80 TAS1R3 (0.34) TAS1R3TAS1R1SLC6A2SLC6A4DYRK1A
SCHEMBL5317625 0.80 MMP1 (0.34) SLC6A2SLC6A4POLB
SCHEMBL5324832 0.79 HPGD (0.34)
SCHEMBL5322497 0.78 SLC6A2 (0.36) TAS1R3TAS1R1SLC6A2SLC6A4POLB
SCHEMBL5318347 0.78 ALDH1A1 (0.35) SLC6A2SLC6A4
SCHEMBL5395845 0.78 MMP1 (0.35) POLB
SCHEMBL5319325 0.76 CCR1 (0.34)
SCHEMBL5464768 0.76 SCN7A (0.33)

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
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP claimed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO claimed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed