SCHEMBL6283894

SCHEMBL6283894

C=Cc1ccccc1OCCC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
IGF1R P08069 1/20 0.40
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 2/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
HTR1A P08908 2/20 0.34
SLC6A4 P31645 2/20 0.34
ADRA1A P35348 2/20 0.34
SLC22A1 O15245 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL6284579 0.85 IGF1R (0.53) HTTALDH1A1HPGDSMN1; SMN2IGF1R
SCHEMBL6289176 0.85 HTT (0.51) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL7133337 0.83 ALOX5 (0.43) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL6288923 0.80 HTT (0.43) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL6288924 0.79 IGF1R (0.42) HTTALDH1A1HPGDSMN1; SMN2IGF1R
SCHEMBL2098846 0.79 HPGD (0.48) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL18570412 0.78 TDP1 (0.53) HTTALDH1A1HPGDTSHRCYP1A2
SCHEMBL29690366 0.78 TDP1 (0.53) HTTALDH1A1HPGDTSHRCYP1A2
SCHEMBL406835 0.78 CYP1A2 (0.56) HTTALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL3444115 0.77 KDM4E (0.39) HTTALDH1A1HPGDSMN1; SMN2TSHR

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