SCHEMBL2036153

SCHEMBL2036153

N[C@@H](CS(=O)(=O)O)C(=O)S(=O)(=O)O

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ LMNA P02545 1/20 0.31
▸ SLC6A6 P31641 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ PMP22 Q01453 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
SCHEMBL21518548 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL180559 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL30600100 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL44031 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL618201 0.77 SLC22A6 (0.37) SLC22A6LMNASLC6A6CYP2C19BLM
SCHEMBL44030 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL1395227 0.77 PTGS1 (0.46) BLMPMP22
SCHEMBL618202 0.77 SLC22A6 (0.37) SLC22A6LMNASLC6A6CYP2C19BLM
SCHEMBL3744406 0.75 PTGS1 (0.44) BLMPMP22
SCHEMBL22720617 0.75 PTGS1 (0.44) BLMPMP22

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-2011072197-A2 DETECTION OF OXIDIZED POLYPEPTIDES PURDUE RESEARCH FOUNDATION (US) 2011-06-16 — — WO disclosed
Send feedback