SCHEMBL9220771

SCHEMBL9220771

COc1ccc(COC(=O)C(C(C)O)N2C(=O)C(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)C2/C=C/c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.52
MAPT P10636 3/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 2/20 0.38
APP P05067 2/20 0.37
SNCA P37840 2/20 0.37
PKM P14618 1/20 0.36
NFE2L2 Q16236 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
SCHEMBL9220778 1.00 AVPR1A (0.52) AVPR1AMAPTALDH1A1KMT2AACHE
SCHEMBL9221959 0.95 AVPR1A (0.55) AVPR1AACHE
SCHEMBL9221961 0.95 AVPR1A (0.55) AVPR1AACHE
SCHEMBL9224873 0.94 AVPR1A (0.58) AVPR1AACHE
SCHEMBL9224867 0.94 AVPR1A (0.58) AVPR1AACHE
SCHEMBL9228503 0.85 ALDH1A1 (0.42) MAPTALDH1A1KMT2AACHEPKM
SCHEMBL9228509 0.85 ALDH1A1 (0.42) MAPTALDH1A1KMT2AACHEPKM
SCHEMBL9219468 0.84 AVPR1A (0.40) AVPR1AMAPTALDH1A1KMT2AACHE
SCHEMBL9219465 0.84 AVPR1A (0.40) AVPR1AMAPTALDH1A1KMT2AACHE
SCHEMBL9222227 0.84 AVPR1A (0.45) AVPR1AMAPTALDH1A1KMT2AACHE

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