SCHEMBL5662980

SCHEMBL5662980

C=Cc1ccc(CCc2cccc(CCc3ccccc3C=C)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.36
MAOB P27338 5/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.34
ABCB1 P08183 2/20 0.33
POLB P06746 1/20 0.33
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CALM1 P0DP23 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL5070663 0.92 ALDH1A1 (0.41) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5070664 0.92 ALDH1A1 (0.41) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5662273 0.91 TP53 (0.37) MAOAMAOBALDH1A1TSHRCYP19A1
SCHEMBL5135464 0.90 ALDH1A1 (0.40) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5664311 0.90 MAOA (0.38) MAOAMAOBALDH1A1CYP19A1MAPT
SCHEMBL5070696 0.89 TP53 (0.38) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5073377 0.87 TP53 (0.39) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5070677 0.86 TP53 (0.38) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL5663675 0.85 ALDH1A1 (0.41) MAOAMAOBALDH1A1TSHRMAPT
SCHEMBL1646806 0.85 ALDH1A1 (0.48) MAOAMAOBALDH1A1TSHRCYP19A1

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