SCHEMBL4444065

SCHEMBL4444065

CCOC(=O)C(Nc1ccc(CN)cc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA9 Q16790 4/20 0.46
HTT P42858 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.41
DPP4 P27487 7/20 0.41
LMNA P02545 1/20 0.41
KLKB1 P03952 1/20 0.40
TPSAB1 Q15661 2/20 0.39
PLG P00747 2/20 0.39
PRSS1 P07477 1/20 0.39
KLK1 P06870 1/20 0.39
KLK6 Q92876 1/20 0.39

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 1.00 CA12 (0.46) CA12CA1CA2CA9HTT
SCHEMBL13501538 1.00 CA12 (0.46) CA12CA1CA2CA9HTT
SCHEMBL4829862 0.85 CA12 (0.48) CA12CA1CA2CA9HTT
SCHEMBL28511516 0.84 AURKA (0.48) CA12CA1CA2CA9HTT
SCHEMBL30713077 0.84 AURKA (0.48) CA12CA1CA2CA9HTT
Hydrochloric Acid SCHEMBL4826620 0.84 CA12 (0.47) CA12CA1CA2CA9HTT
SCHEMBL8169368 0.83 LOXL2 (0.38) CA12CA1CA2CA9HTT
SCHEMBL10955790 0.82 CA12 (0.52) CA12CA1CA2CA9HTT
SCHEMBL8182994 0.82 SMN1; SMN2 (0.42) CA12CA1CA2CA9HTT
SCHEMBL10952879 0.81 GAA (0.50) CA12CA1CA2CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101720319-A Thiazolidine derivatives and methods for the preparation thereof KAINOS MEDICINE INC 2010-06-02 CN disclosed
EP-2118081-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF Kainos Medicine, Inc., (KR) 2009-11-18 EP disclosed
WO-2008087560-A2 THIAZOLIDINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF KAINOS MEDICINE, INC., (US) 2008-07-24 WO disclosed