Sugi Predict

Sugi Predict / Compounds / SCHEMBL6439102

SCHEMBL6439102

SCHEMBL6439102

COC(=O)/C=C/c1ccc(OCCCCCCOc2cc(COc3cc(OCc4cc(OCCCCCCOc5ccc(/C=C/C(=O)OC)cc5OC)c(OCCCCCCOc5ccc(/C=C/C(=O)OC)cc5OC)c(OCCCCCCOc5ccc(/C=C/C(=O)OC)cc5OC)c4)cc(C(=O)OCCCCCCOC(=O)c4cc(N)cc(N)c4)c3)cc(OCCCCCCOc3ccc(/C=C/C(=O)OC)cc3OC)c2OCCCCCCOc2ccc(/C=C/C(=O)OC)cc2OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FDPS P14324 3/20 0.52
▸ ACHE P22303 10/20 0.45
▸ BCHE P06276 7/20 0.45
▸ ABCB1 P08183 4/20 0.43
▸ ABCC1 P33527 4/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.43
▸ MET P08581 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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
SCHEMBL6439110 1.00 FDPS (0.52) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026710 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026041 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026347 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026047 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026977 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026703 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026984 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6026361 0.94 FDPS (0.54) FDPSACHEBCHEABCB1ABCC1
SCHEMBL6025622 0.94 FDPS (0.53) FDPSACHEBCHEABCB1ABCC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1368411-B1 PHOTOACTIVE POLYMER ROLIC AG (CH) 2005-07-06 — — EP disclosed