SCHEMBL30403576

SCHEMBL30403576

NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.47
REN P00797 4/20 0.47
LTA4H P09960 3/20 0.47
KDM4E B2RXH2 1/20 0.47
F2 P00734 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
PEPD P12955 1/20 0.47
ALOX15 P16050 1/20 0.47
PTGS1 P23219 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47
HRH1 P35367 1/20 0.47
THPO P40225 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL30315374 0.91 REN (0.51) ACERENLTA4HKDM4EF2
SCHEMBL28313317 0.90 ACE (0.48) ACERENLTA4HKDM4EF2
SCHEMBL28313314 0.90 ACE (0.48) ACERENLTA4HKDM4EF2
SCHEMBL30905705 0.89 ACE (0.58) ACERENLTA4HKDM4EF2
SCHEMBL29839268 0.88 REN (0.47) ACERENLTA4HKDM4EF2
SCHEMBL31130256 0.85 ACE (0.44) ACERENLTA4HKDM4EF2
SCHEMBL29695455 0.84 ACE (0.51) ACERENLTA4HKDM4EF2
SCHEMBL29430558 0.83 ACE (0.52) ACERENLTA4HKDM4EF2
SCHEMBL30353032 0.83 F2 (0.42) F2
SCHEMBL30272500 0.83 REN (0.45) ACERENLTA4HKDM4EF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4429708-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY Tubulis GmbH (DE) 2024-09-18 EP disclosed
WO-2023083900-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-05-19 WO disclosed