SCHEMBL3850561

SCHEMBL3850561

C=CCOc1ccc(C23CC4CC(C2)CC(C25CC6(c7ccc(OCC=C)cc7OCC=C)CC(c7ccc(OCC=C)cc7OCC=C)(CC(c7ccc(OCC=C)cc7OCC=C)(C6)C2)C5)(C4)C3)c(OCC=C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ESR1 P03372 1/20 0.31
CA12 O43570 4/20 0.31
CA1 P00915 4/20 0.31
CA9 Q16790 4/20 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
SCHEMBL3844136 0.96 ADRA2A (0.39) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3850534 0.94 ADRA2A (0.36) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3845920 0.91 ADRA2A (0.38) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3841200 0.89 ADRA2A (0.36) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3845880 0.88 ADRA2A (0.39) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3840976 0.88 ADRA2A (0.44) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3845042 0.80 ADRA2A (0.39) ADRA2AADRA2BADRA2CKMT2AALDH1A1
SCHEMBL3845066 0.80 ESR1 (0.46) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL3841823 0.80 KMT2A (0.32) KMT2AESR1CA12CA1CA9
SCHEMBL3844825 0.79 ADRA2A (0.33) ADRA2AADRA2BADRA2C

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