SCHEMBL3845913

SCHEMBL3845913

C=CCCCCCOc1[c]ccc(OCCCCCC=C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LPAR3 Q9UBY5 2/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SLC2A1 P11166 1/20 0.32
HTT P42858 1/20 0.32
SLC10A2 Q12908 1/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
PRSS1 P07477 2/20 0.30
TSHR P16473 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
SCHEMBL3842501 0.98 ALDH1A1 (0.40) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL3841411 0.89 ALDH1A1 (0.35) ALDH1A1L3MBTL1KDM4E
SCHEMBL919875 0.83 ALDH1A1 (0.38) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL920397 0.81 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL3841894 0.80 ALDH1A1 (0.31) ALDH1A1L3MBTL1HTTHPGD
SCHEMBL3841891 0.80 ALDH1A1 (0.31) ALDH1A1L3MBTL1HTTHPGD
SCHEMBL20819716 0.79 TSHR (0.50) TSHR
SCHEMBL20819713 0.79 TSHR (0.50) TSHR
SCHEMBL2092766 0.79 TSHR (0.50) TSHR
SCHEMBL1664744 0.79 TSHR (0.50) TSHR

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-20090318610-A1 ORGANIC INSULATING MATERIALS, VARNISHES FOR ORGANIC INSULATING FILM EMPLOYING THEM, ORGANIC INSULATING FILMS AND SEMICONDUCTOR DEVICES SUMITOMO BAKELITE CO., LTD (JP) 2009-12-24 US disclosed
EP-2117009-A1 ORGANIC INSULATING MATERIAL, VARNISH FOR ORGANIC INSULATING FILM USING THE SAME, ORGANIC INSULATING FILM AND SEMICONDUCTOR DEVICE Sumitomo Bakelite Co., Ltd. (JP) 2009-11-11 EP disclosed