SCHEMBL8345934

SCHEMBL8345934

CO/C(=C\C=C\c1cc2cc(Cl)ccc2[nH]1)C(=O)NCCCCO

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.64
ATP6AP1 Q15904 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.43
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PYGL P06737 6/20 0.40
FLT3 P36888 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL8345943 1.00 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1SMN1; SMN2HRH4HRH3
SCHEMBL8345939 1.00 ATP6V1B1 (0.64) ATP6V1B1ATP6AP1SMN1; SMN2HRH4HRH3
SCHEMBL8343521 0.90 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1SMN1; SMN2HRH4HRH3
SCHEMBL8345055 0.81 ATP6AP1 (0.60) ATP6V1B1ATP6AP1SMN1; SMN2PYGLFLT3
SCHEMBL8345059 0.81 ATP6AP1 (0.60) ATP6V1B1ATP6AP1SMN1; SMN2PYGLFLT3
SCHEMBL8345053 0.81 ATP6AP1 (0.60) ATP6V1B1ATP6AP1SMN1; SMN2PYGLFLT3
SCHEMBL8348529 0.79 GABRP (0.52) ATP6V1B1ATP6AP1SMN1; SMN2
SCHEMBL8343838 0.78 IDO1 (0.51) ATP6V1B1ATP6AP1SMN1; SMN2PYGL
SCHEMBL8343834 0.78 IDO1 (0.51) ATP6V1B1ATP6AP1SMN1; SMN2PYGL
SCHEMBL8350872 0.78 ATP6V1B1 (0.67) ATP6V1B1ATP6AP1ALOX15

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-5981525-A FOR THERAPY OR PROPHYLAXIS OF OSTEOPOROSIS,TUMOURS, ULCERS, AUTOIMMUNE DISEASES, LIPIDEMIC DISORDERS, HYPERCHOLESTEROLEMIC AND ATHEROSCLEROTIC DISEASES, AIDS ALZHEIMER'S DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1999-11-09 US disclosed