SCHEMBL8210559

SCHEMBL8210559

CSC(N)(CCCNC(N)=O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 2/20 0.32
TSHR P16473 1/20 0.32
ODC1 P11926 2/20 0.31
ARG1 P05089 1/20 0.31
KDM4C Q9H3R0 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
SCHEMBL6931218 1.00 PAOX (0.32) PAOXTSHRODC1ARG1KDM4C
SCHEMBL940519 1.00 PAOX (0.32) PAOXTSHRODC1ARG1KDM4C
SCHEMBL27308470 0.86 PAOX (0.48) PAOXTSHRODC1
SCHEMBL232479 0.83 KDM4C (0.32) TSHRKDM4C
SCHEMBL2762949 0.83 KDM4C (0.32) TSHRKDM4C
SCHEMBL6266884 0.83 KDM4C (0.32) TSHRKDM4C
SCHEMBL18676095 0.81 TSHR (0.33) TSHR
SCHEMBL1504428 0.78 ARG1 (0.50) PAOXTSHRARG1KDM4C
SCHEMBL20978268 0.78 ARG1 (0.50) PAOXTSHRARG1KDM4C
SCHEMBL1455221 0.78 ARG1 (0.50) PAOXTSHRARG1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013004716-A1 PEPTIDE BEADS UNIVERSITÄT BASEL (CH) 2013-01-10 WO claimed
CN-108367043-A The conjugate of quaternized tubulysin compound 西雅图基因公司 2018-08-03 CN disclosed
WO-2013004716-A1 PEPTIDE BEADS UNIVERSITÄT BASEL (CH) 2013-01-10 WO disclosed
EP-1011656-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE Head Explorer ApS (DK) 2000-06-28 EP disclosed
WO-1998019674-A2 A METHOD FOR TREATING TENSION-TYPE HEADACHE HEAD EXPLORER APS (DK) 1998-05-14 WO disclosed