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Sugi Predict / Compounds / SCHEMBL8090334

SCHEMBL8090334

SCHEMBL8090334

C=CC(=O)OCCCCCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3cc4c5cc(OC(=O)c6ccc(-c7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)c(OC(=O)c6ccc(-c7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)cc5c5cc(OC(=O)c6ccc(-c7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)c(OC(=O)c6ccc(-c7ccc(OCCCCCCCCCCCOC(=O)C=C)cc7)cc6)cc5c4cc3OC(=O)c3ccc(-c4ccc(OCCCCCCCCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ THRB P10828 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ RARB P10826 4/20 0.42
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39

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
SCHEMBL1068298 0.96 HTT (0.48) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL710505 0.95 THRB (0.49) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL817059 0.92 HTT (0.44) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL8105764 0.91 HTT (0.44) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL816233 0.89 THRB (0.52) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL14088555 0.89 HTT (0.50) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL12650347 0.89 HTT (0.50) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL17301220 0.89 HTT (0.50) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL17301211 0.89 HTT (0.50) HTTTHRBALDH1A1TSHRCYP3A4
SCHEMBL14075597 0.89 HTT (0.50) HTTTHRBALDH1A1TSHRCYP3A4

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
JP-2000044517-A OPTICAL COMPENSATION SHEET, LIQUID CRYSTAL DISPLAYING ELEMENT, DISCOTIC COMPOUND, AND LIQUID CRYSTAL COMPOSITION FUJI PHOTO FILM CO LTD 2000-02-15 — — JP disclosed