SCHEMBL3853801

SCHEMBL3853801

CC12CC3(C)CC(c4cc(/C=C/c5ccccc5)cc(/C=C/c5ccccc5)c4)(C1)CC(C14CC5(C)CC(C)(CC(c6cc(/C=C/c7ccccc7)cc(/C=C/c7ccccc7)c6)(C5)C1)C4)(C2)C3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RELA Q04206 2/20 0.35
TRPA1 O75762 1/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35

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
SCHEMBL3853803 1.00 TTR (0.37) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3841019 0.87 RELA (0.41) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3841022 0.87 RELA (0.41) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3843185 0.84 RELA (0.39) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3843187 0.84 RELA (0.39) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3846365 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL3846361 0.83 CYP3A4 (0.34) CYP3A4
SCHEMBL4059740 0.78 PNMT (0.38) MAOAMAOBMEN1KMT2ANPSR1
SCHEMBL3850461 0.77 GRIN2D (0.35) TTRALOX5PTGS1PTGS2RELA
SCHEMBL3850458 0.77 GRIN2D (0.35) TTRALOX5PTGS1PTGS2RELA

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