SCHEMBL7274192

SCHEMBL7274192

O=C(CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)NO

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CASP1 P29466 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL7267303 1.00 TAAR1 (0.49) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL7267306 1.00 TAAR1 (0.49) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL7273903 0.83 TAAR1 (0.54) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL7267743 0.83 TAAR1 (0.54) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL7267749 0.83 TAAR1 (0.54) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL15430652 0.79 TAAR1 (0.56) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL15105333 0.78 LMNA (0.55) TAAR1SMN1; SMN2ALDH1A1LMNA
Bicarbonate SCHEMBL7274197 0.76 HDAC6 (0.55) SMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12517126 0.76 TAAR1 (0.53) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1
SCHEMBL13544593 0.76 TAAR1 (0.53) TAAR1SMN1; SMN2HSD17B10ALDH1A1CASP1

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
EP-0337348-B1 Amides of cyclomethylen-1,2-bicarboxylic acids having therapeutical activity, processes for their preparation and pharmaceutical compositions containing them GUIDOTTI & C SPA LABOR (IT) 1994-02-02 EP claimed