SCHEMBL3841792

SCHEMBL3841792

C#CCOc1ccc(C23CC4CC(C)(CC(C)(C4)C2)C3)c(OCC#C)c1.C#CCOc1ccc(C23CC4CC(C)(CC(C)(C4)C2)C3)c(OCC#C)c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.33
MAOA P21397 7/20 0.33
GSTP1 P09211 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CA12 O43570 3/20 0.32
CA4 P22748 3/20 0.32
CA9 Q16790 3/20 0.32
CA1 P00915 1/20 0.32
SNCA P37840 1/20 0.32
ACHE P22303 1/20 0.31
PTGS2 P35354 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
SCHEMBL3846137 0.85 GSTP1 (0.34) MAOBMAOAGSTP1KDM4EALDH1A1
SCHEMBL3850515 0.83 GSTP1 (0.33) MAOBMAOAGSTP1KDM4EALDH1A1
SCHEMBL3840631 0.83 MAOB (0.34) MAOBMAOAGSTP1KDM4EALDH1A1
SCHEMBL3842360 0.81 MDH2 (0.33) GSTP1ALDH1A1CA12CA4CA9
SCHEMBL3841781 0.81 MEN1 (0.39) MAOBMAOAGSTP1ALDH1A1CA12
SCHEMBL3849937 0.81 KMT2A (0.32) GSTP1CA12CA4CA9CA1
SCHEMBL3849520 0.80 KMT2A (0.34) MAOBMAOAGSTP1KDM4EALDH1A1
SCHEMBL3841823 0.77 KMT2A (0.32) GSTP1CA12CA4CA9CA1
SCHEMBL3842290 0.77 GSTP1 (0.39) MAOBMAOAGSTP1KDM4EALDH1A1
SCHEMBL3841503 0.72 MDH2 (0.31)

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