Sugi Predict

Sugi Predict / Compounds / SCHEMBL3841019

SCHEMBL3841019

SCHEMBL3841019

C(=C/c1cc(/C=C/c2ccccc2)cc(C23CC4(c5cc(/C=C/c6ccccc6)cc(/C=C/c6ccccc6)c5)CC(c5cc(/C=C/c6ccccc6)cc(/C=C/c6ccccc6)c5)(C2)CC(C25CC6(c7cc(/C=C/c8ccccc8)cc(/C=C/c8ccccc8)c7)CC(c7cc(/C=C/c8ccccc8)cc(/C=C/c8ccccc8)c7)(CC(c7cc(/C=C/c8ccccc8)cc(/C=C/c8ccccc8)c7)(C6)C2)C5)(C3)C4)c1)\c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 2/20 0.41
▸ MAOB P27338 5/20 0.41
▸ MAOA P21397 4/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ CYP19A1 P11511 2/20 0.41
▸ TTR P02766 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ TRPA1 O75762 1/20 0.37
▸ TUBB4A P04350 1/20 0.37
▸ TUBB P07437 1/20 0.37
▸ TUBA3C P0DPH7 1/20 0.37
▸ TUBA1B P68363 1/20 0.37
▸ TUBA4A P68366 1/20 0.37
▸ TUBB4B P68371 1/20 0.37
▸ TUBB3 Q13509 1/20 0.37
▸ TUBB2A Q13885 1/20 0.37
▸ TUBB8 Q3ZCM7 1/20 0.37
▸ TUBA3E Q6PEY2 1/20 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
SCHEMBL3841022 1.00 RELA (0.41) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3843187 0.96 RELA (0.39) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3843185 0.96 RELA (0.39) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3850461 0.88 GRIN2D (0.35) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3850458 0.88 GRIN2D (0.35) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3853803 0.87 TTR (0.37) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3853801 0.87 TTR (0.37) RELAMAOBMAOANFE2L2CYP19A1
SCHEMBL3842366 0.85 GRIN2D (0.46) RELAMAOBMAOAALDH1A1
SCHEMBL3842369 0.85 GRIN2D (0.46) RELAMAOBMAOAALDH1A1
SCHEMBL3843173 0.84 GRIN2D (0.36) RELAMAOBMAOANFE2L2CYP19A1

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