SCHEMBL6281417

SCHEMBL6281417

C=C(C)C(=O)OC.C=CC(=O)OCCOS(=O)(=O)c1ccc(C)cc1.CCCOC(=O)C(C)=CO

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
STAT3 P40763 2/20 0.34
PSMD10 O75832 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.31
ENPP1 P22413 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL6281570 0.93 CA1 (0.37) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6281735 0.91 ALDH1A1 (0.39) CA1CA2
SCHEMBL6275704 0.90 STAT3 (0.34) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6280950 0.86 CA1 (0.36) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6281597 0.85 CA1 (0.39) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6278440 0.85 CA1 (0.39) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6275727 0.85 TSHR (0.40) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6285252 0.85 ALDH1A1 (0.42) CA1CA2STAT3PSMD10TSHR
SCHEMBL6275859 0.84 CA1 (0.38) CA1CA2STAT3PSMD10CTDSP1
SCHEMBL6278376 0.84 CA1 (0.38) CA1CA2STAT3PSMD10CTDSP1

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-6956091-B2 Organic anti-reflective polymer and preparation thereof HYUNDAI ELECTRONICS INDUSTRIES CO., LTD. (KR) 2005-10-18 US disclosed