SCHEMBL7933068

SCHEMBL7933068

COC(=O)C1=CC=C(C(=O)O)C(=O)C1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18737432 0.65 SMN1; SMN2 (0.36) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL18738264 0.61 SMN1; SMN2 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL18737936 0.59 SMN1; SMN2 (0.33) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL18737932 0.59 SMN1; SMN2 (0.33) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL25414445 0.58 CASP6 (0.30)
SCHEMBL8927315 0.58 TSHR (0.31)
SCHEMBL28100308 0.55 CASP6 (0.30)
SCHEMBL27511359 0.55
Methyl Benzoate SCHEMBL27568805 0.55 TSHR (0.76) POLBMEN1KMT2ASMN1; SMN2
SCHEMBL27723749 0.55 TSHR (0.41) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242636-B1 SEMETIC ELECTROCLINIC; LOW VOLTAGE RESULTS IN LARGE INDUCED TILT AND IMPROVED CONTRAST RATIO OR IN PHASE MODULATION; TEMPERATURE INDEPENDENT THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITIAN AND NORTHERN IRELAND OF DEFENCE EVALUATION AND RESEARCH AGENCY (GB) 2001-06-05 US disclosed