SCHEMBL6287585

SCHEMBL6287585

C=Cc1ccc(OC(C)CCCC)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.41
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
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
ALDH1A3 P47895 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC2A1 P11166 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
LNPEP Q9UIQ6 1/20 0.33
AHR P35869 1/20 0.33
THRB P10828 2/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL7673566 0.95 GPR88 (0.39) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7673562 0.95 GPR88 (0.39) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3032255 0.90 TAS1R3 (0.43) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7664004 0.90 CHRNB2 (0.36) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7664011 0.90 CHRNB2 (0.36) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL29015274 0.85 TDP1 (0.40) GPR88CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7920138 0.82 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6698168 0.81 CHRNB2 (0.37) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6287554 0.81 GPR88 (0.39) GPR88ALDH1A1TDP1LNPEPPPARG
SCHEMBL6695750 0.81 CHRNB2 (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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