SCHEMBL3846003

SCHEMBL3846003

CC=Cc1cc(C=CC)cc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(C25CC6(c7ccccc7)CC(c7ccccc7)(CC(c7cc(C=CC)cc(C=CC)c7)(C6)C2)C5)(C4)C3)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.37
ATM Q13315 1/20 0.37
PDK2 Q15119 1/20 0.35
PNMT P11086 1/20 0.34
CNR2 P34972 1/20 0.33
GRIN2D O15399 1/20 0.32
GRIN3B O60391 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRIN2B Q13224 1/20 0.32
GRIN2C Q14957 1/20 0.32
GRIN3A Q8TCU5 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3845999 1.00 CYP3A4 (0.37) CYP3A4ATMPDK2PNMTCNR2
SCHEMBL3846397 0.90 CYP3A4 (0.39) CYP3A4ATMPDK2CNR2LMNA
SCHEMBL3846394 0.90 CYP3A4 (0.39) CYP3A4ATMPDK2CNR2LMNA
SCHEMBL3843185 0.87 RELA (0.39) PDK2PNMT
SCHEMBL3843187 0.87 RELA (0.39) PDK2PNMT
SCHEMBL3841019 0.83 RELA (0.41) PDK2KDM4EALDH1A1
SCHEMBL3841022 0.83 RELA (0.41) PDK2KDM4EALDH1A1
SCHEMBL3841852 0.80 ALDH1A1 (0.39) PNMTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL3846365 0.79 CYP3A4 (0.34) CYP3A4ATMCNR2
SCHEMBL3846361 0.79 CYP3A4 (0.34) CYP3A4ATMCNR2

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