SCHEMBL9227516

SCHEMBL9227516

C[C@@H](O)C(C(=O)OCc1ccc([N+](=O)[O-])cc1)N1C(=O)C(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C1CO

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.37
ACHE P22303 1/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
TNF P01375 1/20 0.35
ALOX5 P09917 1/20 0.35
HTT P42858 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
AVPR1A P37288 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
SCHEMBL9227512 1.00 HTR2A (0.37) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9224938 0.95 ACHE (0.43) ACHEAVPR1A
SCHEMBL9224944 0.95 ACHE (0.43) ACHEAVPR1A
SCHEMBL9228503 0.94 ALDH1A1 (0.42) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9228509 0.94 ALDH1A1 (0.42) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9220750 0.90 CA12 (0.36) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9220745 0.90 CA12 (0.36) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9219465 0.90 AVPR1A (0.40) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL9219468 0.90 AVPR1A (0.40) HTR2AACHEKMT2AALDH1A1MAPT
SCHEMBL10422331 0.86 CA12 (0.37) HTR2AACHEKMT2AALDH1A1MAPT

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