SCHEMBL3845604

SCHEMBL3845604

C#CCOc1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(C25CC6(c7ccccc7)CC(c7ccccc7)(CC(c7ccc(OCC#C)cc7OCC#C)(C6)C2)C5)(C4)C3)c(OCC#C)c1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 14/20 0.37
MAOA P21397 7/20 0.37
GSTP1 P09211 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL3842290 0.91 GSTP1 (0.39) MAOBMAOAGSTP1CA12CA4
SCHEMBL3841811 0.84 MAOB (0.43) MAOBMAOAGSTP1CA12CA4
SCHEMBL3850515 0.82 GSTP1 (0.33) MAOBMAOAGSTP1CA12CA4
SCHEMBL3840631 0.81 MAOB (0.34) MAOBMAOAGSTP1CA12CA4
SCHEMBL3841823 0.80 KMT2A (0.32) GSTP1CA12CA4CA9CA1
SCHEMBL3846137 0.79 GSTP1 (0.34) MAOBMAOAGSTP1CA12CA4
SCHEMBL3841565 0.78 CA12 (0.44) MAOBMAOAGSTP1CA12CA4
SCHEMBL3845042 0.78 ADRA2A (0.39) MAPTCA12CA9CA1
SCHEMBL3849520 0.76 KMT2A (0.34) MAOBMAOAGSTP1CA12CA4
SCHEMBL3842360 0.75 MDH2 (0.33) GSTP1CA12CA4CA9CA1

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