SCHEMBL6410992

SCHEMBL6410992

O=CC(=C/c1ccc(OCc2ccc(Br)cc2)cc1)/C(C=O)=C\c1ccc(OCc2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
MAOB P27338 6/20 0.54
APP P05067 1/20 0.53
FFAR1 O14842 2/20 0.52
FFAR4 Q5NUL3 1/20 0.52
MAOA P21397 4/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
SIRT3 Q9NTG7 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL6410996 1.00 RXRA (0.55) RXRARXRBMAOBAPPFFAR1
SCHEMBL6336427 0.85 NR4A2 (0.55) MAOBAPPMAOANPC1RAB9A
SCHEMBL6331441 0.85 NPC1 (0.55) MAOBAPPFFAR1NPC1RAB9A
SCHEMBL6336424 0.85 NR4A2 (0.55) MAOBAPPMAOANPC1RAB9A
SCHEMBL6331444 0.85 NPC1 (0.55) MAOBAPPFFAR1NPC1RAB9A
SCHEMBL6333529 0.84 NR1H4 (0.58) MAOBFFAR1FFAR4MAOANPC1
SCHEMBL6333531 0.84 NR1H4 (0.58) MAOBFFAR1FFAR4MAOANPC1
SCHEMBL865744 0.82 MAOB (0.67) RXRARXRBMAOBAPPFFAR1
SCHEMBL16295330 0.82 MAOB (0.67) RXRARXRBMAOBAPPFFAR1
SCHEMBL2399080 0.78 APP (0.80) RXRARXRBMAOBAPPFFAR1

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
US-6949682-B2 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-09-27 US claimed
US-6949682-B2 Cinnamaldehyde derivatives inhibiting growth of tumor cell and regulating cell cycle, preparations and pharmaceutical compositions thereof KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2005-09-27 US disclosed