SCHEMBL14517151

SCHEMBL14517151

C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(c3cc(CC(N)=O)cs3)C[C@H]12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAP Q12884 3/20 0.39
PTGS1 P23219 1/20 0.34
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
ELANE P08246 1/20 0.31
HTR7 P34969 1/20 0.30

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
SCHEMBL14517172 0.92 FAP (0.39) FAPPTGS1KDM4ELMNAUSP2
SCHEMBL14517162 0.91 FAP (0.40) FAPPTGS1KDM4ELMNAUSP2
SCHEMBL14517148 0.91 FAP (0.38) FAPPTGS1KDM4ELMNAUSP2
SCHEMBL14517164 0.91 FAP (0.40) FAPPTGS1KDM4ELMNAELANE
SCHEMBL14517150 0.90 FAP (0.39) FAPPTGS1KDM4ELMNA
SCHEMBL14517170 0.90 FAP (0.37) FAPPTGS1KDM4ELMNAUSP2
SCHEMBL14517161 0.87 FAP (0.39) FAPPTGS1KDM4ELMNAELANE
SCHEMBL14517173 0.86 FAP (0.37) FAPPTGS1KDM4ELMNA
SCHEMBL14517141 0.85 FAP (0.39) FAPPTGS1KDM4ELMNAUSP2
SCHEMBL14517115 0.85 FAP (0.39) FAPPTGS1KDM4ELMNACYP3A4

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-7205291-B2 High mouth absorption; antibiotics against gramnegative, grampositive bacteria espscially Staphlococcus pneumonia, Hemophilus influenza DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-17 US disclosed