SCHEMBL22014584

SCHEMBL22014584

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.35
CNR2 P34972 4/20 0.33
CNR1 P21554 2/20 0.33
TSHR P16473 4/20 0.33
SERPINE1 P05121 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
MEN1 O00255 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
SCHEMBL22006102 0.87 CNR2 (0.30) CNR2
SCHEMBL13655603 0.82 ESR1 (0.35) ESR1CNR2CNR1TSHRTDP1
SCHEMBL21730572 0.78 TSHR (0.48) TSHRL3MBTL1CYP3A4MAPK1ALDH1A1
SCHEMBL21842558 0.77 TSHR (0.41) ESR1CNR2CNR1TSHRSERPINE1
SCHEMBL13655561 0.69 HDAC3 (0.39) ESR1TSHRSERPINE1TDP1L3MBTL1
SCHEMBL26229419 0.69 MEN1 (0.33) KMT2AMEN1
SCHEMBL22005502 0.69 KMT2A (0.36) ESR1CNR2CNR1TSHRTDP1
SCHEMBL24142385 0.68 HDAC3 (0.35) SERPINE1
SCHEMBL26426586 0.66 HDAC3 (0.36) ESR1TSHRCYP3A4ALDH1A1KMT2A
SCHEMBL26225966 0.66 THRB (0.41) TSHRSERPINE1TDP1CYP3A4ALDH1A1

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
WO-2020099190-A1 POLYMER FOR LIQUID EMBOLIC AGENTS AND METHOD OF OBTAINING SAME LVD BIOTECH S. L. (ES) 2020-05-22 WO disclosed