SCHEMBL9224944

SCHEMBL9224944

C[C@@H](O)C(C(=O)OCc1ccccc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1CO

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
AVPR1A P37288 1/20 0.41
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
PDE1C Q14123 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL9224938 1.00 ACHE (0.43) ACHEAVPR1AITGA4ITGB7CYP19A1
SCHEMBL9227512 0.95 HTR2A (0.37) ACHEAVPR1A
SCHEMBL9227516 0.95 HTR2A (0.37) ACHEAVPR1A
SCHEMBL9228509 0.91 ALDH1A1 (0.42) ACHE
SCHEMBL9228503 0.91 ALDH1A1 (0.42) ACHE
SCHEMBL9219243 0.87 ACHE (0.39) ACHEKDM4E
SCHEMBL9219236 0.87 ACHE (0.39) ACHEKDM4E
SCHEMBL9225470 0.87 AVPR1A (0.47) AVPR1A
SCHEMBL9225461 0.87 AVPR1A (0.47) AVPR1A
SCHEMBL9224867 0.86 AVPR1A (0.58) ACHEAVPR1AITGA4ITGB7PDE1C

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