SCHEMBL6285280

SCHEMBL6285280

C=Cc1ccc(OCCC(C)CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 6/20 0.55
CHRNB4 P30926 4/20 0.55
CHRNA3 P32297 4/20 0.55
CHRNB2 P17787 3/20 0.55
CHRNA4 P43681 3/20 0.55
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2300864 0.90 CHRNA7 (0.53) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL4905266 0.84 TDP1 (0.59) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL1992997 0.83 CHRNB2 (0.50) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL27937747 0.83 CHRNA7 (0.48) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6281447 0.81 TLR4 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL6289173 0.79 CHRNA7 (0.54) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL3811451 0.79 CHRNB2 (0.41) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL8442559 0.79 RARB (0.47) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4
SCHEMBL12482374 0.79 MEN1 (0.50) TDP1MEN1KMT2AMAPK1
SCHEMBL411759 0.78 CHRNA7 (0.66) CHRNA7CHRNB4CHRNA3CHRNB2CHRNA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900273-B1 Low-hygroscopicity low-birefringence resin compositions, molding material obtained therefrom, sheet or film, and optical part HITACHI CHEMICAL CO., LTD. (JP) 2005-05-31 US disclosed
US-20040220342-A1 Low-hygroscopicity low-birefringence resin compositions, molding material, sheet or film obtained therefrom, and optical part YAMASHITA YUKIHIKO (JP) 2004-11-04 US disclosed
EP-1205517-A1 LOW-HYGROSCOPICITY LOW-BIREFRINGENCE RESIN COMPOSITIONS, MOLDING MATERIAL OBTAINED THEREFROM, SHEET OR FILM, AND OPTICAL PART HITACHI CHEMICAL COMPANY, LTD. (JP) 2002-05-15 EP disclosed