SCHEMBL6286654

SCHEMBL6286654

C=Cc1ccccc1OCC(C)(C)CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
USP2 O75604 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
KDM4E B2RXH2 4/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C9 P11712 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP2C19 P33261 2/20 0.32
NPC1 O15118 2/20 0.32
MAPT P10636 5/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 2/20 0.32
ATM Q13315 1/20 0.31

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) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL60041 0.78 ALDH1A1 (0.50) HPGDALDH1A1SMN1; SMN2HTTTSHR
Benzene SCHEMBL28121961 0.77 ALDH1A1 (0.48) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL2098846 0.77 HPGD (0.48) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL25560123 0.76 HPGD (0.38) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL3783784 0.76 ALDH1A1 (0.35) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL6283890 0.76 IDO1 (0.46) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL14399506 0.75 ALDH1A1 (0.44) HPGDALDH1A1TSHRKDM4ECYP1A2
SCHEMBL406835 0.75 CYP1A2 (0.56) HPGDALDH1A1SMN1; SMN2HTTTSHR
SCHEMBL3445740 0.74 ALDH1A1 (0.40) HPGDALDH1A1SMN1; SMN2HTTTSHR

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