SCHEMBL6822256

SCHEMBL6822256

NC1C=CC(OC(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABAT P80404 1/20 0.39
GABRR1 P24046 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2909738 1.00 ABAT (0.39) ABATGABRR1TSHRMAPK1HSD17B10
SCHEMBL7092335 1.00 ABAT (0.39) ABATGABRR1TSHRMAPK1HSD17B10
Hydrochloric Acid SCHEMBL6386772 0.98 ABAT (0.38) ABATGABRR1
SCHEMBL13722120 0.81 CA12 (0.40) ABATTSHR
SCHEMBL11430747 0.81 CA12 (0.40) ABATTSHR
SCHEMBL18606378 0.81 CA12 (0.40) ABATTSHR
SCHEMBL15018519 0.76 ABAT (0.32) ABAT
SCHEMBL6821414 0.71 SMN1; SMN2 (0.34)
SCHEMBL15748000 0.71
SCHEMBL15750317 0.68 SLC6A4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0424064-B1 Chiral azabicyloheptanone and a process for their preparation CHIROSCIENCE LTD (GB) 1995-02-08 EP claimed
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP disclosed