SCHEMBL22005502

SCHEMBL22005502

Cc1cc(C)c(I)c(C(=O)OCCCOC(=O)C(C)(C)C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
ESR1 P03372 4/20 0.32
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 2/20 0.31
TP53 P04637 1/20 0.31
MAPK1 P28482 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 1/20 0.31
GRM1 Q13255 1/20 0.31
GAA P10253 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 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
SCHEMBL21730568 0.74 CYP3A4 (0.49) KMT2ATSHRTDP1L3MBTL1CYP3A4
SCHEMBL22014370 0.72
SCHEMBL26225966 0.70 THRB (0.41) KMT2ATSHRTDP1CYP3A4ALDH1A1
SCHEMBL22014584 0.69 ESR1 (0.35) KMT2AESR1TSHRTDP1L3MBTL1
SCHEMBL13389163 0.67 KMT2A (0.41) KMT2AESR1TSHRTDP1L3MBTL1
SCHEMBL10124387 0.66 TSHR (0.51) KMT2ATSHRTDP1L3MBTL1CYP3A4
SCHEMBL13655603 0.65 ESR1 (0.35) KMT2AESR1TSHRTDP1L3MBTL1
SCHEMBL23200292 0.64 CYP1A2 (0.34) CYP1A2
SCHEMBL22965865 0.64 BLM (0.33) KMT2ATDP1CYP3A4MEN1GAA
SCHEMBL22193458 0.63 TSHR (0.44) KMT2AESR1TSHRTDP1L3MBTL1

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-3653656-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD Biotech S.L. (ES) 2020-05-20 EP disclosed