SCHEMBL9849020

SCHEMBL9849020

CC(=O)SCC(F)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.55
FCER2 P06734 1/20 0.52
ACE P12821 7/20 0.51
CPA1 P15085 7/20 0.51
ACE2 Q9BYF1 7/20 0.51

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
SCHEMBL9069033 0.85 MME (0.63) MMEFCER2ACECPA1ACE2
SCHEMBL6199749 0.85 CYP1A2 (0.58) MME
SCHEMBL6199752 0.85 CYP1A2 (0.58) MME
SCHEMBL9069196 0.85 MME (0.63) MMEFCER2ACECPA1ACE2
SCHEMBL7416436 0.84 MME (0.51) MMEFCER2ACECPA1ACE2
SCHEMBL9068808 0.81 MMP2 (0.65) MMEFCER2ACECPA1ACE2
SCHEMBL6169551 0.81 MME (0.60) MMEACECPA1ACE2
SCHEMBL6169549 0.81 MME (0.60) MMEACECPA1ACE2
SCHEMBL5916397 0.80 MME (0.55) MMEACE
SCHEMBL6172440 0.80 MME (0.68) MMEACE

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-0449523-A1 Mercapto- or acylthio-trifluoromethyl amide derivatives and their use E.R. SQUIBB & SONS, INC. (US) 1991-10-02 EP disclosed