SCHEMBL3849937

SCHEMBL3849937

C#CCOc1ccc(C23CC4CC(C2)CC(C25CC6CC(c7ccc(OCC#C)cc7OCC#C)(CC(c7ccc(OCC#C)cc7OCC#C)(C6)C2)C5)(C4)C3)c(OCC#C)c1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.32
MDH2 P40926 1/20 0.31
HIF1A Q16665 1/20 0.31
GSTP1 P09211 1/20 0.31
ESR1 P03372 1/20 0.31
CA12 O43570 3/20 0.30
CA4 P22748 3/20 0.30
CA9 Q16790 3/20 0.30
CA1 P00915 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
SCHEMBL3849520 0.95 KMT2A (0.34) KMT2AMDH2HIF1AGSTP1ESR1
SCHEMBL3842360 0.94 MDH2 (0.33) KMT2AMDH2HIF1AGSTP1CA12
SCHEMBL3841823 0.94 KMT2A (0.32) KMT2AMDH2HIF1AGSTP1ESR1
SCHEMBL3846137 0.94 GSTP1 (0.34) GSTP1CA12CA4CA9CA1
SCHEMBL3850515 0.92 GSTP1 (0.33) GSTP1CA12CA4CA9CA1
SCHEMBL3842290 0.82 GSTP1 (0.39) GSTP1CA12CA4CA9CA1
SCHEMBL3841792 0.81 MAOB (0.33) GSTP1CA12CA4CA9CA1
SCHEMBL3853806 0.80 ESR1 (0.46) KMT2AMDH2HIF1AESR1
SCHEMBL3850534 0.80 ADRA2A (0.36) KMT2AESR1CA12CA9CA1
SCHEMBL3841503 0.78 MDH2 (0.31) MDH2HIF1A

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