SCHEMBL5070677

SCHEMBL5070677

C=Cc1cccc(CCc2ccccc2CCc2ccccc2C=C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
FAAH O00519 1/20 0.34
MAOA P21397 2/20 0.33
MAOB P27338 2/20 0.33
ABCB1 P08183 7/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 1/20 0.32
CYP2D6 P10635 2/20 0.32
HTR2A P28223 2/20 0.32
BACE1 P56817 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30

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
SCHEMBL5073377 0.98 TP53 (0.39) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL5070696 0.97 TP53 (0.38) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL5662273 0.95 TP53 (0.37) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL5665065 0.92 TP53 (0.44) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL5664311 0.88 MAOA (0.38) ALDH1A1MAOAMAOBABCB1HTR1A
SCHEMBL5662980 0.86 MAOA (0.36) ALDH1A1TSHRMAOAMAOBABCB1
SCHEMBL5662401 0.85 ALDH1A1 (0.42) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL15809482 0.83 TP53 (0.40) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL595016 0.82 TP53 (0.52) TP53TDP1ALDH1A1TSHRFAAH
SCHEMBL29375309 0.82 TP53 (0.52) TP53TDP1ALDH1A1TSHRFAAH

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