SCHEMBL9012465

SCHEMBL9012465

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 8/20 0.60
ACE P12821 5/20 0.56
CPA1 P15085 5/20 0.56
ACE2 Q9BYF1 5/20 0.56
MMP2 P08253 4/20 0.52
MMP9 P14780 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADAMTS4 O75173 1/20 0.52

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
SCHEMBL30631191 0.91 MME (0.61) MMEACECPA1ACE2MMP2
SCHEMBL6436714 0.89 MMP2 (0.63) MMEMMP2MMP9ADAMTS4
SCHEMBL698062 0.89 MMP2 (0.63) MMEMMP2MMP9ADAMTS4
Benzene SCHEMBL28198278 0.89 MMP2 (0.63) MMEMMP2MMP9ADAMTS4
SCHEMBL698061 0.89 MMP2 (0.63) MMEMMP2MMP9ADAMTS4
SCHEMBL13956900 0.85 MMP1 (0.52) MMP2MMP9ADAMTS4
SCHEMBL9658885 0.84 KMT2A (0.53) MMP2MMP9ADAMTS4
SCHEMBL27445164 0.84 MMP2 (0.57) MMP2MMP9ADAMTS4
SCHEMBL16473194 0.81 MMP2 (0.50) MMP2MMP9ADAMTS4
SCHEMBL22457647 0.81 MME (0.67) MMEACECPA1ACE2L3MBTL1

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-0743320-A2 Acyl guanidine and amidine prodrugs BRISTOL-MYERS SQUIBB COMPANY (US) 1996-11-20 EP disclosed