SCHEMBL8169368

SCHEMBL8169368

CC(C)C(Nc1ccc(CN)cc1)C(=O)OCCN=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.38
PLG P00747 4/20 0.36
TPSAB1 Q15661 3/20 0.36
PRSS1 P07477 1/20 0.36
KLK1 P06870 3/20 0.36
KLK6 Q92876 3/20 0.36
KLKB1 P03952 2/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CFD P00746 2/20 0.34
PTK2 Q05397 1/20 0.33
ADAMTS4 O75173 1/20 0.33
BACE1 P56817 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
BPTF Q12830 1/20 0.32

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
SCHEMBL13501533 0.83 CA12 (0.46) LOXL2PLGTPSAB1PRSS1KLK1
SCHEMBL13501538 0.83 CA12 (0.46) LOXL2PLGTPSAB1PRSS1KLK1
SCHEMBL4444065 0.83 CA12 (0.46) LOXL2PLGTPSAB1PRSS1KLK1
SCHEMBL4441635 0.77 CFD (0.50) LOXL2PLGKLK1KLK6CFD
Hydrochloric Acid SCHEMBL3619634 0.76 CFD (0.49) LOXL2PLGKLK1KLK6CFD
SCHEMBL4829862 0.69 CA12 (0.48) CA12CA1CA2CA9HTT
SCHEMBL28511516 0.68 AURKA (0.48) CA12CA1CA2CA9HTT
SCHEMBL30713077 0.68 AURKA (0.48) CA12CA1CA2CA9HTT
Hydrochloric Acid SCHEMBL4826620 0.68 CA12 (0.47) CA12CA1CA2CA9HTT
SCHEMBL904392 0.67 PLG (0.47) LOXL2PLGTPSAB1PRSS1KLK1

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-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 WO disclosed