SCHEMBL22193451

SCHEMBL22193451

C=C(C)C(=O)OC(C)COC(=O)c1ccc(I)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPT P10636 1/20 0.41
PLA2G1B P04054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ADRB2 P07550 9/20 0.38
ADRB1 P08588 9/20 0.38
ADRB3 P13945 9/20 0.38
ALDH1A1 P00352 2/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL22193453 0.89 TSHR (0.50) TSHRMAPTALDH1A1
SCHEMBL4579636 0.87 ADRB2 (0.51) TSHRMAPTADRB2ADRB1ADRB3
SCHEMBL22193448 0.86 TSHR (0.42) TSHRMAPTPLA2G1BATG4BADRB2
SCHEMBL22193456 0.86 ALDH1A1 (0.40) TSHRMAPTADRB2ADRB1ADRB3
SCHEMBL22193454 0.84 MAPT (0.37) TSHRMAPTADRB2ADRB1ADRB3
SCHEMBL23601564 0.82 ADRB2 (0.45) TSHRADRB2ADRB1ADRB3ALDH1A1
SCHEMBL3943866 0.80 ALDH1A1 (0.55) TSHRMAPTPLA2G1BATG4BADRB2
SCHEMBL27767035 0.80 TSHR (0.40) TSHRMAPTPLA2G1BATG4BADRB2
SCHEMBL11130478 0.79 MAPT (0.41) TSHRMAPTPLA2G1BATG4BADRB2
SCHEMBL3915386 0.78 TSHR (0.63) TSHRMAPTADRB2ADRB1ADRB3

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