SCHEMBL3846010

SCHEMBL3846010

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

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.45
MAOA P21397 8/20 0.45
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ABCG2 Q9UNQ0 1/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL3845983 0.98 MAOB (0.46) MAOBMAOACA12CA9ABCG2
SCHEMBL3841132 0.89 MAOB (0.36) MAOBMAOACA12CA9
SCHEMBL920522 0.83 MAOB (0.44) MAOBMAOACA12CA9ABCG2
SCHEMBL919721 0.81 MAOB (0.45) MAOBMAOACA12CA9ABCG2
SCHEMBL3846018 0.80 TSHR (0.33) MAOBMAOA
SCHEMBL919125 0.80 MAOB (0.44) MAOBMAOACA12CA9ABCG2
SCHEMBL1664744 0.79 TSHR (0.50)
SCHEMBL20819716 0.79 TSHR (0.50)
SCHEMBL20819713 0.79 TSHR (0.50)
SCHEMBL1452222 0.79 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