SCHEMBL6025622

SCHEMBL6025622

COC(=O)C=Cc1ccc(OCCCCCCOc2ccc(COc3cc(OCc4ccc(OCCCCCCOc5ccc(C=CC(=O)OC)cc5OC)c(OCCCCCCOc5ccc(C=CC(=O)OC)cc5OC)c4)cc(C(=O)OCCCCCCOC(=O)c4cc(N)cc(N)c4)c3)cc2OCCCCCCOc2ccc(C=CC(=O)OC)cc2OC)c(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.53
ACHE P22303 5/20 0.46
BCHE P06276 3/20 0.46
MET P08581 5/20 0.45
MMP1 P03956 4/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
MMP13 P45452 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.42
ABCC1 P33527 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
TNFRSF1A P19438 1/20 0.42

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
SCHEMBL6025615 1.00 FDPS (0.53) FDPSACHEBCHEMETMMP1
SCHEMBL6026984 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026710 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026347 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026703 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026977 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026047 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026361 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6026041 0.94 FDPS (0.54) FDPSACHEBCHEMETKDM4E
SCHEMBL6439102 0.94 FDPS (0.52) FDPSACHEBCHEMETKDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034098-B2 POlyimide, polyamide; liquid crystals, opticsoptics ROLIC AG (CH) 2006-04-25 US disclosed
EP-1368411-B1 PHOTOACTIVE POLYMER ROLIC AG (CH) 2005-07-06 EP disclosed
US-20040185215-A1 Photoactive polymer based on polyimides, polyamic acids and esters characterised in that it contains as a side-chain a dendritic block incorporating photoactive groups at its surface; use as orientation layers for liquid crystals and in the construction of unstructured and structured optical elements ROLIC AG (CH) 2004-09-23 US disclosed
EP-1229066-A1 Photoactive polymer Rolic AG (CH) 2002-08-07 EP disclosed