SCHEMBL6280256

SCHEMBL6280256

C=Cc1cccc(OCCCC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.43
TLR2 O60603 1/20 0.43
FURIN P09958 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
GALR3 O60755 1/20 0.37
HSP90AA1 P07900 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HPGD P15428 2/20 0.37

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
SCHEMBL6289238 0.92 TDP1 (0.45) TLR4TLR2FURINTDP1TP53
SCHEMBL3446132 0.84 KDM4E (0.44) TLR4TLR2FURINTSHRALDH1A1
SCHEMBL3444911 0.83 KDM4E (0.46) TLR4TLR2FURINTSHRALDH1A1
SCHEMBL19806820 0.83 MAPK1 (0.50) TDP1L3MBTL1TSHRALDH1A1MAPK1
SCHEMBL4476913 0.83 PTGS2 (0.39) TLR4TLR2TDP1TP53ALDH1A1
SCHEMBL3444116 0.82 KDM4E (0.45) TLR4TLR2TSHRALDH1A1KMT2A
SCHEMBL3445801 0.82 KDM4E (0.45) TLR4TLR2TSHRALDH1A1KMT2A
SCHEMBL412094 0.82 TLR4 (0.60) TLR4TLR2FURINTDP1TP53
SCHEMBL411729 0.82 TDP1 (0.44) TDP1TP53TSHRALDH1A1MAPK1
SCHEMBL6281447 0.82 TLR4 (0.41) TLR4TLR2FURINTDP1TP53

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