SCHEMBL3842501

SCHEMBL3842501

C=CCCCCOc1[c]ccc(OCCCCC=C)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH2 P05091 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
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
LPAR3 Q9UBY5 2/20 0.31
LPAR2 Q9HBW0 1/20 0.31
KDM4E B2RXH2 1/20 0.31
KCNA3 P22001 1/20 0.31
GLS O94925 1/20 0.31
SLC2A1 P11166 1/20 0.30
HTT P42858 1/20 0.30
SLC10A2 Q12908 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
SCHEMBL3845913 0.98 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL3841411 0.90 ALDH1A1 (0.35) ALDH1A1L3MBTL1KDM4E
SCHEMBL920397 0.83 ALDH1A1 (0.39) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL919875 0.81 ALDH1A1 (0.38) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL3841894 0.81 ALDH1A1 (0.31) ALDH1A1L3MBTL1HTT
SCHEMBL3841891 0.81 ALDH1A1 (0.31) ALDH1A1L3MBTL1HTT
SCHEMBL677235 0.78 TSHR (0.47)
SCHEMBL921787 0.78 ALDH1A1 (0.49) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL919157 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1ALDH2MAOAMAOB
SCHEMBL2092766 0.77 TSHR (0.50)

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