SCHEMBL3845676

SCHEMBL3845676

C(#Cc1cc(C#Cc2ccccc2)cc(C23CC4CC(CC(C4)C2C2C4CC5CC(C4)CC2(c2cc(C#Cc4ccccc4)cc(C#Cc4ccccc4)c2)C5)C3)c1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA4 P43681 1/20 0.32
FFAR1 O14842 1/20 0.31
GRM5 P41594 2/20 0.31
HSD11B1 P28845 1/20 0.30
KCNH2 Q12809 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
ALOX5AP P20292 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL3840670 0.82 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL6770754 0.80 ALDH1A1 (0.46) APPMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL3846726 0.78 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL3841874 0.78 GRIN2D (0.36) HSD11B1ALDH1A1
SCHEMBL3845948 0.73 SIGMAR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL3845944 0.73 SIGMAR1 (0.36) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6764286 0.73 LMNA (0.40) APPMAPTCHRNB2CHRNB4CHRNA3
SCHEMBL3845906 0.72 APP (0.35) APPFFAR1GRM5HSD11B1KCNH2
SCHEMBL2763081 0.72 PGR (0.51) HSD11B1ALDH1A1LMNA
SCHEMBL6683935 0.72 GRIN2D (0.33) APPKCNH2ALDH1A1LMNA

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