SCHEMBL29697693

SCHEMBL29697693

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
REN P00797 2/20 0.40
KDM4E B2RXH2 1/20 0.40
F2 P00734 1/20 0.40
LTA4H P09960 1/20 0.40
MAPT P10636 1/20 0.40
PEPD P12955 1/20 0.40
ALOX15 P16050 1/20 0.40
PTGS1 P23219 1/20 0.40
HTR2A P28223 1/20 0.40
PTGS2 P35354 1/20 0.40
HRH1 P35367 1/20 0.40
THPO P40225 1/20 0.40
PMP22 Q01453 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ACE2 Q9BYF1 1/20 0.40

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
SCHEMBL24579410 1.00 ACE (0.44) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL26605894 1.00 ACE (0.44) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL29696654 1.00 ACE (0.44) ACELMNASMN1; SMN2RENKDM4E
SCHEMBL29696699 0.88 PRCP (0.36) ACELMNAF2
SCHEMBL24579890 0.87 PRCP (0.41) ACELMNASMN1; SMN2F2
SCHEMBL30640759 0.87 PRCP (0.41) ACELMNASMN1; SMN2F2
SCHEMBL30861944 0.86 ACE (0.38) ACELMNARENLTA4HACE2
SCHEMBL29476043 0.85 ACE (0.47) ACELMNALTA4HACE2
SCHEMBL24580046 0.83 KMT2A (0.43) ACELMNAACE2
SCHEMBL22798190 0.83 ACE (0.53) ACELMNASMN1; SMN2LTA4HACE2

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-4269422-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-01 EP disclosed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed