SCHEMBL30902857

SCHEMBL30902857

CC(C)[C@H](NC(=O)CC[C@H](NC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)C(C)C)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.44
PTGS2 P35354 4/20 0.44
NOD1 Q9Y239 2/20 0.38
FAAH O00519 2/20 0.37
CASP1 P29466 1/20 0.36
CTSL P07711 1/20 0.36
REN P00797 1/20 0.35
CTSD P07339 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
MGLL Q99685 2/20 0.34
HSP90AA1 P07900 1/20 0.34
TLR9 Q9NR96 1/20 0.34

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
SCHEMBL2560233 0.92 PTGS1 (0.49) PTGS1PTGS2FAAHCASP1FNTA
SCHEMBL12285559 0.92 PTGS1 (0.49) PTGS1PTGS2FAAHCASP1FNTA
SCHEMBL18774100 0.92 PTGS1 (0.49) PTGS1PTGS2FAAHCASP1FNTA
SCHEMBL2561561 0.92 PTGS1 (0.49) PTGS1PTGS2FAAHCASP1FNTA
SCHEMBL2560238 0.92 PTGS1 (0.49) PTGS1PTGS2FAAHCASP1FNTA
SCHEMBL31171013 0.89 PTGS1 (0.38) PTGS1PTGS2FAAHCASP1REN
SCHEMBL31170999 0.89 PTGS1 (0.38) PTGS1PTGS2FAAHCASP1REN
SCHEMBL30902880 0.85 GLP1R (0.47) PTGS1PTGS2HTTSMN1; SMN2HPGD
SCHEMBL22644039 0.85 NPY5R (0.43) CASP1
SCHEMBL22267879 0.83 PTGS1 (0.46) PTGS1PTGS2FAAHCASP1ALDH1A1

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-2024105205-A1 ANTIBODY-DRUG CONJUGATES (A2DCS) WITH ENZYMATICALLY CLEAVABLE GROUPS BAYER AKTIENGESELLSCHAFT (DE) 2024-05-23 WO disclosed