SCHEMBL6288923

SCHEMBL6288923

C=Cc1ccccc1OCCCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PPIA P62937 1/20 0.42
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
IDO1 P14902 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TLR8 Q9NR97 1/20 0.37
MCHR1 Q99705 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 2/20 0.36

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
SCHEMBL6289176 0.91 HTT (0.51) HTTHPGDALDH1A1SMN1; SMN2IDO1
SCHEMBL7133337 0.89 ALOX5 (0.43) HTTHPGDALDH1A1SMN1; SMN2PPIA
SCHEMBL19806810 0.83 HTT (0.51) HTTPPIANFKB1NFKB2RELA
SCHEMBL3444287 0.83 SMN1; SMN2 (0.41) HTTHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL29378504 0.83 ALDH1A1 (0.67) HTTHPGDALDH1A1SMN1; SMN2PPIA
SCHEMBL5033203 0.82 ADRB2 (0.43) HTTHPGDALDH1A1SMN1; SMN2NFKB1
SCHEMBL3444430 0.82 ALDH1A1 (0.44) HTTHPGDALDH1A1SMN1; SMN2MEN1
SCHEMBL3793697 0.81 ALDH1A1 (0.52) HTTHPGDALDH1A1SMN1; SMN2TSHR
SCHEMBL3445389 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHTR1B
SCHEMBL3445442 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHTR1B

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