SCHEMBL5141463

SCHEMBL5141463

C=CC(=CCc1ccccc1CC=C(C=C)c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.42
HRH1 P35367 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
ALDH1A1 P00352 2/20 0.33
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
F12 P00748 1/20 0.32
F7 P08709 1/20 0.32
F3 P13726 1/20 0.32
PKM P14618 1/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP3A4 P08684 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
SCHEMBL27449395 0.79 AKT1 (0.45) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21747960 0.78 AKT1 (0.43) AKT1HRH1CHRNB2CHRNB4CHRNA3
SCHEMBL17541877 0.78 AKT1 (0.43) AKT1HRH1CHRNB2CHRNB4CHRNA3
SCHEMBL9274317 0.78 AKT1 (0.43) AKT1HRH1CHRNB2CHRNB4CHRNA3
SCHEMBL60174 0.76 AKT1 (0.42) AKT1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28788617 0.73 AKT1 (0.39) AKT1HRH1ALDH1A1HPGDLMNA
SCHEMBL28788613 0.73 AKT1 (0.39) AKT1HRH1ALDH1A1HPGDLMNA
SCHEMBL15192037 0.73 GPR52 (0.46) AKT1TDP1
SCHEMBL1073773 0.72 AKT1 (0.50) AKT1ALDH1A1LMNAMEN1MAPT
SCHEMBL1073772 0.72 AKT1 (0.50) AKT1ALDH1A1LMNAMEN1MAPT

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
EP-1966290-A2 POROUS MONOLITHIC ORGANIC COPOLYMER FOR BIOPOLYMER CHROMATOGRAPHY Leopold-Franzens-Universität Innsbruck (AT) 2008-09-10 EP disclosed
WO-2007073865-A2 POROUS MONOLITHIC ORGANIC COPOLYMER FOR BIOPOLYMER CHROMATOGRAPHY LEOPOLD-FRANZENS-UNIVERSITÄT INNSBRUCK (AT) 2007-07-05 WO disclosed
US-20070144972-A1 Monolithic Organic Copolymer for Biopolymer Chromatography LEOPOLD-FRANZENS-UNIVERSITAT INNSBRUCK (AT) 2007-06-28 US disclosed