SCHEMBL3843162

SCHEMBL3843162

C#CCOC12CC3CC(C)(CC(C)(C3)C1)C2.C#CCOC12CC3CC(C)(CC(C)(C3)C1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 6/20 0.38
GRIN2A Q12879 6/20 0.38
GRIN2D O15399 5/20 0.38
GRIN3B O60391 5/20 0.38
GRIN2B Q13224 5/20 0.38
GRIN2C Q14957 5/20 0.38
GRIN3A Q8TCU5 5/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
SLC22A1 O15245 1/20 0.38
ESR1 P03372 1/20 0.38
ADRB3 P13945 1/20 0.38
ACHE P22303 1/20 0.38
OPRK1 P41145 1/20 0.38
MTOR P42345 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3841240 0.78
SCHEMBL3845900 0.75
SCHEMBL3843158 0.74
SCHEMBL3841241 0.73 EPHX2 (0.30) EPHX2
SCHEMBL4536805 0.72 NPSR1 (0.34) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3841531 0.71 GRIN1 (0.38) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3846329 0.71
SCHEMBL27976296 0.70 GRIN1 (0.48) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B
SCHEMBL3841204 0.69
SCHEMBL4808258 0.69 GRIN1 (0.36) GRIN1GRIN2AGRIN2DGRIN3BGRIN2B

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