SCHEMBL6286602

SCHEMBL6286602

C=Cc1ccc(OC(CC)CCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 2/20 0.38
ALDH1A3 P47895 1/20 0.34
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
HDAC8 Q9BY41 1/20 0.31
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ACACB O00763 1/20 0.30
LTB4R Q15722 1/20 0.30
LTB4R2 Q9NPC1 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
SCHEMBL18154475 0.82 TAS1R3 (0.44) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6289223 0.81 TP53 (0.40) TAS1R3TAS1R1ALDH1A1PPARGPPARA
SCHEMBL3032255 0.81 TAS1R3 (0.43) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL23389867 0.80 THRB (0.43) TAS1R3TAS1R1ALDH1A1PPARGPPARA
SCHEMBL15871120 0.78 ACHE (0.38) ALDH1A1PPARGPPARATSHRMEN1
SCHEMBL5197979 0.78 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6695340 0.78 TAS1R3 (0.41) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL10001616 0.78 CHRNB2 (0.38) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL6699138 0.77 TAS1R3 (0.40) TAS1R3TAS1R1CHRNB2CHRNB4CHRNA3
SCHEMBL22644024 0.77 PPARA (0.43) PPARGPPARATSHR

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