SCHEMBL8198550

SCHEMBL8198550

CC(C)(C)CCNC(=O)c1ccc2c(c1)CCCC2O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.46
NAMPT P43490 2/20 0.45
TAOK3 Q9H2K8 2/20 0.43
DHODH Q02127 9/20 0.42
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40

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
SCHEMBL8205143 0.85 MLYCD (0.43) MLYCDNAMPTTAOK3DHODHGCGR
SCHEMBL8203614 0.78 TAOK1 (0.45) MLYCDNAMPTTAOK3TAOK1
SCHEMBL8203558 0.76 MLYCD (0.48) MLYCDNAMPT
SCHEMBL1726266 0.74 CHRNB2 (0.46) L3MBTL1
SCHEMBL1726267 0.74 CHRNB2 (0.46) L3MBTL1
SCHEMBL4337340 0.73 ALDH1A1 (0.56)
SCHEMBL4337336 0.73 ALDH1A1 (0.56)
SCHEMBL8589012 0.73 MLYCD (0.45) MLYCDNAMPTPDGFRBKDRL3MBTL1
SCHEMBL8589013 0.73 MLYCD (0.45) MLYCDNAMPTPDGFRBKDRL3MBTL1
SCHEMBL24495850 0.73 SMN1; SMN2 (0.62) MLYCDNAMPTL3MBTL1

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed
US-6048877-A Tetralone derivatives as antiarrhythmic agents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-04-11 US disclosed