SCHEMBL3842296

SCHEMBL3842296

C#CCOc1ccc(C23CC4CC(C2)CC(C25CC6(c7ccc(OCC#C)cc7)CC(c7ccc(OCC#C)cc7)(CC(c7ccc(OCC#C)cc7)(C6)C2)C5)(C4)C3)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PGR P06401 9/20 0.42
RAB9A P51151 1/20 0.41
MDH2 P40926 1/20 0.40
HIF1A Q16665 1/20 0.40
RAD52 P43351 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3842591 0.96 ESR1 (0.46) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3853806 0.94 ESR1 (0.46) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3845028 0.92 ESR1 (0.52) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3848124 0.90 MEN1 (0.39) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3850493 0.87 MEN1 (0.46) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3841244 0.87 MEN1 (0.40) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3841565 0.86 CA12 (0.44) ESR1MEN1KMT2AALDH1A1LMNA
SCHEMBL3841811 0.81 MAOB (0.43)
SCHEMBL3841823 0.80 KMT2A (0.32) ESR1KMT2AMDH2HIF1A
SCHEMBL3845066 0.80 ESR1 (0.46) ESR1MEN1KMT2AALDH1A1LMNA

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