SCHEMBL8091541

SCHEMBL8091541

O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CCCCO[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.55
ALOX5 P09917 1/20 0.52
ACHE P22303 1/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA9 Q16790 1/20 0.52

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
SCHEMBL10909557 0.96 POLB (0.56) POLBALOX5ACHECA12CA1
SCHEMBL10913972 0.91 ALOX5 (0.56) POLBALOX5ACHECA12CA1
SCHEMBL13202235 0.82 ACHE (0.58) POLBALOX5ACHECA12CA1
SCHEMBL8083585 0.82 POLB (0.69) POLBALOX5ACHECA12CA1
SCHEMBL9370970 0.82 ALOX5 (0.56) POLBALOX5ACHECA12CA1
SCHEMBL13202079 0.81 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL13486978 0.81 POLB (0.67) POLBALOX5ACHECA12CA1
SCHEMBL1573660 0.81 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL8095237 0.81 ACHE (0.57) POLBALOX5ACHECA12CA1
SCHEMBL1569306 0.81 ACHE (0.60) POLBALOX5ACHECA12CA1

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-1059291-A2 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 2000-12-13 EP disclosed
US-5719295-A FROM N-ALKYL NITROPHTHALAMIDE GENERAL ELECTRIC COMPANY (US) 1998-02-17 US disclosed
US-5536846-A NITRATION, PURIFICATION, LIQUID EXTRACTION, DRYING AND PURIFICATION THEN REACTION WITH ALKALI METAL BISPHENOL AND TRANSFORMATION GENERAL ELECTRIC COMPANY (US) 1996-07-16 US disclosed
EP-0684232-A1 Process for preparing bis(ether anhydrides) GENERAL ELECTRIC COMPANY (US) 1995-11-29 EP disclosed