SCHEMBL3849987

SCHEMBL3849987

C=CCOc1ccc(C23CC4(c5ccc(OCC=C)cc5)CC(c5ccc(OCC=C)cc5)(C2)CC(C25CC6(c7ccc(OCC=C)cc7)CC(c7ccc(OCC=C)cc7)(CC(c7ccc(OCC=C)cc7)(C6)C2)C5)(C3)C4)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA9 Q16790 3/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
ALDH1A1 P00352 4/20 0.38
TSHR P16473 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 6/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL3845584 0.94 MAPT (0.42) CA12CA1CA9CA2CA7
SCHEMBL3844563 0.89 ALDH1A1 (0.39) CA12CA1CA9CA2CA7
SCHEMBL3843358 0.88 MMP1 (0.38) CA12CA1CA9CA2CA7
SCHEMBL3845066 0.86 ESR1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL3843454 0.85 ALDH1A1 (0.40) CA12CA1CA9CA2CA7
SCHEMBL5866811 0.81 ESR1 (0.52) CA12CA1CA9CA2CA7
SCHEMBL3843190 0.81 ESR1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL3842342 0.80 MEN1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL3841547 0.79 ESR1 (0.46) CA12CA1CA9CA2CA7
SCHEMBL3845042 0.78 ADRA2A (0.39) CA12CA1CA9ADRA2AADRA2B

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