SCHEMBL22014369

SCHEMBL22014369

CC(=O)c1cc(I)cc(I)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CYP3A4 P08684 2/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAOB P27338 1/20 0.33
ERN1 O75460 1/20 0.32
TPMT P51580 1/20 0.32
HTT P42858 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL16652911 0.83 KDM4E (0.44) TTRKDM4EMAOBTPMT
SCHEMBL16750946 0.83 SMN1; SMN2 (0.40) TTRSMN1; SMN2POLBNLRP3CYP3A4
SCHEMBL879358 0.82 TTR (0.46) TTRSMN1; SMN2POLBNLRP3CYP3A4
SCHEMBL22991362 0.78 TTR (0.61) TTRSMN1; SMN2POLBNLRP3KDM4E
SCHEMBL24506701 0.78 TP53 (0.43) TTRSMN1; SMN2POLBNLRP3HDAC3
SCHEMBL15368352 0.74 SMN1; SMN2 (0.40) TTRSMN1; SMN2POLBNLRP3CYP3A4
SCHEMBL2261818 0.72 TTR (0.56) TTRERN1
SCHEMBL10498088 0.72 TTR (0.50) TTRSMN1; SMN2POLBNLRP3CYP3A4
SCHEMBL24195885 0.71 PTPRC (0.39) TTRSMN1; SMN2POLBNLRP3CYP3A4
SCHEMBL28879905 0.71 TTR (0.39) TTRSMN1; SMN2POLBNLRP3CYP3A4

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