SCHEMBL30401952

SCHEMBL30401952

CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)CN)C(C)C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.44
MME P08473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.40
CTSD P07339 2/20 0.38
FNTA P49354 8/20 0.37
FNTB P49356 8/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 1/20 0.35
GSTK1 Q9Y2Q3 1/20 0.35
SDCBP O00560 1/20 0.35
SDC2 P34741 1/20 0.35

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
SCHEMBL30772916 0.93 ACE (0.41) ACEMMENPSR1CTSDFNTA
SCHEMBL29380611 0.88 NPSR1 (0.47) MMENPSR1CTSDSMN1; SMN2SDCBP
SCHEMBL29692687 0.85 ACE (0.48) ACEMMECTSDKDM4EMAPT
SCHEMBL232334 0.81 NPSR1 (0.53) NPSR1FNTAFNTBSMN1; SMN2SDCBP
SCHEMBL232335 0.81 NPSR1 (0.53) NPSR1FNTAFNTBSMN1; SMN2SDCBP
SCHEMBL2081229 0.81 NPSR1 (0.53) NPSR1FNTAFNTBSMN1; SMN2SDCBP
SCHEMBL8002689 0.81 ACE (0.47) ACEMMEFNTAFNTBKDM4E
SCHEMBL3396685 0.80 NPSR1 (0.41) MMENPSR1CTSDSDCBPSDC2
SCHEMBL3396676 0.80 NPSR1 (0.41) MMENPSR1CTSDSDCBPSDC2
SCHEMBL31064974 0.80 NPSR1 (0.44) MMENPSR1SMN1; SMN2SDCBPSDC2

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
US-20230151065-A1 MULTI-DISULFIDE-BOND LONG-CHAIN PEPTIDE WITH NEUROPROTECTIVE ACTIVITY, PHARMACEUTICAL COMPOSITION AND APPLICATION NANTONG UNIVERSITY (CN) 2023-05-18 US claimed