SCHEMBL11035951

SCHEMBL11035951

C=C(C)C(=O)OCCCOc1ccc(C(C)(C)c2ccc(OCCCOC(=O)C(=C)C)cc2)cc1.C=CC(=O)OCCCOc1ccc(C(C)(C)c2ccc(OCCCOC(=O)C=C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
HTT P42858 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
APEX1 P27695 1/20 0.53
THRB P10828 1/20 0.47
ALDH1A1 P00352 8/20 0.46
GAA P10253 1/20 0.46
KDM4E B2RXH2 9/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 4/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9517527 1.00 POLB (0.53) POLBHTTTDP1APEX1THRB
SCHEMBL21644463 0.98 THRB (0.51) POLBHTTTDP1APEX1THRB
SCHEMBL14028578 0.94 THRB (0.55) POLBHTTTDP1APEX1THRB
SCHEMBL346370 0.91 POLB (0.62) POLBHTTTDP1APEX1ALDH1A1
SCHEMBL246239 0.91 THRB (0.55) POLBHTTTDP1THRBALDH1A1
SCHEMBL11132915 0.88 THRB (0.55) POLBHTTTDP1THRBALDH1A1
SCHEMBL17433302 0.87 HTT (0.58) POLBHTTTDP1APEX1THRB
SCHEMBL21154699 0.87 TSHR (0.59) POLBHTTTDP1THRBALDH1A1
SCHEMBL7623776 0.87 POLB (0.58) POLBHTTTDP1APEX1ALDH1A1
SCHEMBL7630968 0.87 THRB (0.51) POLBHTTTDP1THRBALDH1A1

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
US-4436764-A Method and apparatus for surface-hardening treatment of synthetic resin shaped articles MITSUBISHI RAYON COMPANY, LTD. (JP) 1984-03-13 US disclosed