SCHEMBL6283924

SCHEMBL6283924

C=Cc1cccc(OCC(C)CC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.47
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
FFAR1 O14842 1/20 0.40
TLR8 Q9NR97 1/20 0.40
MCHR1 Q99705 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.39
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
GRM2 Q14416 1/20 0.36
GPR88 Q9GZN0 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL6281442 0.88 HIF1A (0.40) GPBAR1TP53TDP1ADRB2ADRB1
SCHEMBL6279897 0.86 TDP1 (0.42) TP53TDP1ADRB2ADRB1KDM4E
SCHEMBL411729 0.85 TDP1 (0.44) TP53TDP1ADRB2ADRB1KDM4E
SCHEMBL6281447 0.85 TLR4 (0.41) GPBAR1TP53TDP1KDM4EALDH1A1
SCHEMBL28733949 0.85 ADRB2 (0.39) GPBAR1TP53TDP1ADRB2ADRB1
SCHEMBL17138170 0.83 GPBAR1 (0.60) GPBAR1TP53ADRB2ADRB1FFAR1
SCHEMBL6288908 0.83 TDP1 (0.42) TP53TDP1ADRB2ADRB1KDM4E
SCHEMBL6425705 0.81 TSHR (0.42) TP53TDP1ADRB2ADRB1KDM4E
SCHEMBL1992997 0.80 CHRNB2 (0.50) TP53TDP1FFAR1KDM4EALDH1A1
SCHEMBL410570 0.80 KDM4E (0.57) TP53TDP1KDM4EALDH1A1SMN1; SMN2

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