SCHEMBL29628817

SCHEMBL29628817

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.42
GSTK1 Q9Y2Q3 1/20 0.42
ACE P12821 2/20 0.40
MME P08473 8/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 1/20 0.36
PTGS2 P35354 1/20 0.36
THPO P40225 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
OPRD1 P41143 4/20 0.34
OPRM1 P35372 3/20 0.34
OPRK1 P41145 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
SCHEMBL29628831 0.99 PTGS1 (0.43) PTGS1GSTK1ACEMMECPA1
SCHEMBL29628816 0.88 ACE (0.46) PTGS1GSTK1ACEMMECPA1
SCHEMBL30835497 0.87 QRFPR (0.41) ACEMMECPA1ACE2OPRD1
SCHEMBL29865388 0.87 ACE (0.46) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL19033088 0.85 PTGS1 (0.40) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29567393 0.84 PTGS1 (0.51) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL29567345 0.84 PTGS1 (0.51) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL30595915 0.84 MME (0.39) ACEMMECPA1ACE2KDM4E
SCHEMBL6447460 0.84 KDM4E (0.47) PTGS1GSTK1ACEKDM4EMAPT
SCHEMBL6447452 0.84 KDM4E (0.47) PTGS1GSTK1ACEKDM4EMAPT

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
CN-107667113-B Cysteine-linked nanobody dimers engineered through the C-terminus 埃博灵克斯股份有限公司 2022-05-03 CN disclosed