SCHEMBL7327036

SCHEMBL7327036

C[C@H]([C]=O)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.37
PTGS1 P23219 1/20 0.32
GSTK1 Q9Y2Q3 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
NMT2 O60551 1/20 0.30
NMT1 P30419 1/20 0.30
MME P08473 3/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
NFKB1 P19838 1/20 0.30
PTGS2 P35354 1/20 0.30
THPO P40225 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PAX8 Q06710 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
SCHEMBL1031740 0.84 DPP4 (0.38) PDCD1LG2CD274KDM4EPTGS2THPO
SCHEMBL30717674 0.79 MME (0.47) ACEMMEMAPT
SCHEMBL29564354 0.79 ACE (0.51) ACEPTGS1GSTK1PDCD1LG2CD274
SCHEMBL30288039 0.79 ACE (0.51) ACEPTGS1GSTK1PDCD1LG2CD274
SCHEMBL9303123 0.79 DPP4 (0.34) PDCD1LG2CD274PAX8
SCHEMBL30288027 0.79 ACE (0.51) ACEPTGS1GSTK1PDCD1LG2CD274
SCHEMBL28081216 0.78 NMT1 (0.46) NMT2NMT1
SCHEMBL16770237 0.77 ACE (0.53) ACEPTGS1GSTK1PDCD1LG2CD274
SCHEMBL29939666 0.76 ACE (0.50) ACEMMEKDM4EMAPTTHRB
SCHEMBL6048582 0.75 CTSC (0.32) PDCD1LG2CD274

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
EP-0341603-A2 Atrial peptide derivatives ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed