SCHEMBL22193458

SCHEMBL22193458

C=C(C)C(=O)OCCCCOC(=O)c1cc(I)cc(C)c1I

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.44
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 4/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL23601572 0.85 TSHR (0.42) TSHRTDP1POLBAPEX1HTT
SCHEMBL26225966 0.84 THRB (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL29623140 0.82 THRB (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL22168540 0.82 THRB (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL22193461 0.79 TSHR (0.50) TSHRTDP1POLBAPEX1HTT
SCHEMBL23601635 0.79 ESR1 (0.46) TSHRTDP1POLBAPEX1HTT
SCHEMBL23601629 0.76 ESR1 (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL23601639 0.75 TSHR (0.45) TSHRTDP1POLBAPEX1HTT
SCHEMBL22168539 0.75 THRB (0.40) TSHRTDP1POLBAPEX1HTT
SCHEMBL2532109 0.74 TSHR (0.65) TSHRTDP1POLBAPEX1HTT

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-20200218149-A1 IODINE-CONTAINING POLYMERS FOR CHEMICALLY AMPLIFIED RESIST COMPOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2020-07-09 US disclosed