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Sugi Predict / Compounds / SCHEMBL3845580

SCHEMBL3845580

SCHEMBL3845580

CC=Cc1cc(C=CC)cc(C23CC4CC(c5cc(C=CC)cc(C=CC)c5)(C2)CC(C25CC6(c7cc(C=CC)cc(C=CC)c7)CC(c7cc(C=CC)cc(C=CC)c7)(CC(c7cc(C=CC)cc(C=CC)c7)(C6)C2)C5)(C4)C3)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.32
▸ ATM Q13315 1/20 0.32

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
SCHEMBL3845578 1.00 CYP3A4 (0.32) CYP3A4ATM
SCHEMBL3847004 0.97 CYP3A4 (0.33) CYP3A4ATM
SCHEMBL3847001 0.97 CYP3A4 (0.33) CYP3A4ATM
SCHEMBL3841900 0.91 MEN1 (0.30) CYP3A4ATM
SCHEMBL3841898 0.91 MEN1 (0.30) CYP3A4ATM
SCHEMBL3843103 0.90 GRIN2D (0.34) —
SCHEMBL3843104 0.90 GRIN2D (0.34) —
SCHEMBL3846621 0.88 GRIN2D (0.35) CYP3A4ATM
SCHEMBL3846620 0.88 GRIN2D (0.35) CYP3A4ATM
SCHEMBL3846397 0.87 CYP3A4 (0.39) CYP3A4ATM

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