SCHEMBL9228503

SCHEMBL9228503

COc1ccc(COC(=O)C(C(C)O)N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2CO)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 3/20 0.42
ACHE P22303 1/20 0.42
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TNF P01375 1/20 0.37
HTR2A P28223 1/20 0.36
HTT P42858 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
SCHEMBL9228509 1.00 ALDH1A1 (0.42) ALDH1A1KMT2AACHEGAAPKM
SCHEMBL9227512 0.94 HTR2A (0.37) ALDH1A1KMT2AACHEMAPTMEN1
SCHEMBL9227516 0.94 HTR2A (0.37) ALDH1A1KMT2AACHEMAPTMEN1
SCHEMBL9224938 0.91 ACHE (0.43) ACHE
SCHEMBL9224944 0.91 ACHE (0.43) ACHE
SCHEMBL9220778 0.85 AVPR1A (0.52) ALDH1A1KMT2AACHEPKMMAPT
SCHEMBL9220771 0.85 AVPR1A (0.52) ALDH1A1KMT2AACHEPKMMAPT
SCHEMBL9220745 0.85 CA12 (0.36) ALDH1A1KMT2AACHEMAPTMEN1
SCHEMBL9220750 0.85 CA12 (0.36) ALDH1A1KMT2AACHEMAPTMEN1
SCHEMBL9219468 0.84 AVPR1A (0.40) ALDH1A1KMT2AACHEMAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282895-B1 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMA CO LTD (JP) 1995-06-07 EP disclosed
US-5037976-A Antimicrobial Agent OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-06 US disclosed
US-4898859-A 2-Oxa-isocephem compounds and compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-06 US disclosed
EP-0282895-A2 2-oxa-isocephem compounds, compositions containing same and processes for preparing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-09-21 EP disclosed