SCHEMBL5664288

SCHEMBL5664288

C=Cc1ccc(CCc2ccccc2CCc2ccc(C=C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 1/20 0.39
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
SLC5A1 P13866 1/20 0.37
SLC5A2 P31639 1/20 0.37
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PSMD14 O00487 1/20 0.34
LMNA P02545 1/20 0.34
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ABCB1 P08183 1/20 0.33
FFAR1 O14842 1/20 0.33
SLC6A2 P23975 1/20 0.33

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
SCHEMBL5135464 0.91 ALDH1A1 (0.40) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL5070663 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL5070664 0.88 ALDH1A1 (0.41) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL5662401 0.88 ALDH1A1 (0.42) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL9806380 0.86 ALDH1A1 (0.59) ALDH1A1TSHRMAOAMAOBPOLB
SCHEMBL50012 0.86 ALDH1A1 (0.65) ALDH1A1TSHRMAPTMAOAMAOB
SCHEMBL1647493 0.86 ALDH1A1 (0.65) ALDH1A1TSHRMAPTMAOAMAOB
SCHEMBL5662980 0.81 MAOA (0.36) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL5141146 0.81 ALDH1A1 (0.36) ALDH1A1TSHRMAPTHTR1ADRD2
SCHEMBL1646806 0.78 ALDH1A1 (0.48) ALDH1A1TSHRMAOAMAOBCA1

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-20070144972-A1 Monolithic Organic Copolymer for Biopolymer Chromatography LEOPOLD-FRANZENS-UNIVERSITAT INNSBRUCK (AT) 2007-06-28 US disclosed