SCHEMBL8205143

SCHEMBL8205143

COC1CCCc2cc(C(=O)NCCC(C)(C)C)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.43
NAMPT P43490 2/20 0.43
TRPV1 Q8NER1 1/20 0.43
DHODH Q02127 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
GCGR P47871 1/20 0.41
GIPR P48546 1/20 0.41
TAOK3 Q9H2K8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
LMNA P02545 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
SCHEMBL8198550 0.85 MLYCD (0.46) MLYCDNAMPTTRPV1DHODHGCGR
SCHEMBL8203614 0.84 TAOK1 (0.45) MLYCDNAMPTTAOK3
SCHEMBL8203404 0.77 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL24495850 0.73 SMN1; SMN2 (0.62) MLYCDNAMPTKMT2AL3MBTL1LMNA
SCHEMBL8203558 0.73 MLYCD (0.48) MLYCDNAMPTKMT2ANPC1RAB9A
SCHEMBL8589013 0.70 MLYCD (0.45) MLYCDNAMPTKMT2ANPC1RAB9A
SCHEMBL8589012 0.70 MLYCD (0.45) MLYCDNAMPTKMT2ANPC1RAB9A
SCHEMBL17865780 0.70 MLYCD (0.77) MLYCDNAMPTNPC1RAB9AL3MBTL1
SCHEMBL14029670 0.68 CHRNB2 (0.39) DHODHMEN1KMT2ANPC1RAB9A
SCHEMBL10246936 0.68 TAOK3 (0.52) DHODHMEN1KMT2ATAOK3L3MBTL1

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 3 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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO disclosed