SCHEMBL28553382

SCHEMBL28553382

NCCCC[C@H](N)C(=O)OC(=O)C(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 1/20 0.45
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP7 Q9UHL4 2/20 0.41
▸ DPP9 Q86TI2 1/20 0.41
▸ MMP2 P08253 2/20 0.41
▸ GSR P00390 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ MMP9 P14780 1/20 0.38
▸ HTR2A P28223 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ ANPEP P15144 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
Lysine SCHEMBL28553383 0.83 SRC (0.61) SRCDPP8DPP7DPP9MMP2
SCHEMBL21383949 0.82 GSR (0.46) DPP8DPP7DPP9MMP2GSR
Sulfuric Acid SCHEMBL28324666 0.79 GSR (0.53) DPP8DPP7DPP9GSR
SCHEMBL1537425 0.77 MMP2 (0.58) DPP8DPP7DPP9MMP2GSR
SCHEMBL237821 0.77 MMP2 (0.58) DPP8DPP7DPP9MMP2GSR
SCHEMBL17202311 0.77 MMP2 (0.51) DPP8DPP7DPP9MMP2GSR
SCHEMBL10773507 0.75 KIF11 (0.53) DPP8DPP7DPP9MMP2GSR
SCHEMBL1404247 0.75 GSR (0.61) DPP8DPP7DPP9GSR
SCHEMBL20240364 0.75 GSR (0.61) DPP8DPP7DPP9GSR
SCHEMBL344574 0.75 GSR (0.61) DPP8DPP7DPP9GSR

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-108373475-B Preparation method of sulbenicillin sodium 山东四环药业股份有限公司 2020-12-01 — — CN disclosed
Send feedback