SCHEMBL6283890

SCHEMBL6283890

C=Cc1ccccc1OCCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NFKB1 P19838 3/20 0.40
NFKB2 Q00653 3/20 0.40
RELA Q04206 3/20 0.40
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RIPK1 Q13546 2/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
JAK2 O60674 1/20 0.33

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
SCHEMBL2768371 0.84 ALDH1A1 (0.41) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10
SCHEMBL13449770 0.82 IDO1 (0.54) IDO1MCHR1ALDH1A1HPGDHTT
SCHEMBL2098846 0.79 HPGD (0.48) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL3793697 0.79 ALDH1A1 (0.52) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10
SCHEMBL15085835 0.78 KDM4E (0.54) IDO1ALDH1A1NFKB1TSHRRIPK1
SCHEMBL406835 0.78 CYP1A2 (0.56) MCHR1ALDH1A1HPGDHTTSMN1; SMN2
SCHEMBL60041 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10
SCHEMBL8776520 0.77 ALDH1A1 (0.50) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10
SCHEMBL3445740 0.77 ALDH1A1 (0.40) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10
SCHEMBL3445737 0.77 ALDH1A1 (0.40) ALDH1A1HPGDHTTSMN1; SMN2HSD17B10

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