SCHEMBL28899998

SCHEMBL28899998

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.42
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
ELANE P08246 1/20 0.40
MAPT P10636 1/20 0.38
GSK3B P49841 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
APP P05067 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
SCHEMBL28478234 0.90 ELANE (0.46) CA1CA2ELANEMAPTTDP1
SCHEMBL4595754 0.83 TDP1 (0.50) TPMTCA1CA2ELANEMAPT
SCHEMBL28514832 0.81 ELANE (0.54) ELANEMAPTTDP1POLBALDH1A1
SCHEMBL777588 0.81 ELANE (0.54) ELANEMAPTTDP1POLBALDH1A1
SCHEMBL8515413 0.80 TPMT (0.48) TPMTPTPN2PTPN1CA1CA2
SCHEMBL25968073 0.80 ELANE (0.63) CA1CA2ELANEMAPTTDP1
SCHEMBL14422832 0.80 MAPT (0.62) CA1CA2ELANEMAPT
SCHEMBL811460 0.80 TDP1 (0.48) CA1CA2MAPTTDP1POLB
SCHEMBL3972789 0.79 ELANE (0.53) ELANEMAPTTDP1POLBALDH1A1
SCHEMBL3788226 0.79 ELANE (0.53) ELANEMAPTTDP1POLBALDH1A1

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
CN-111741747-A Porous embolic microspheres comprising a drug 范·里恩·贝希尔有限公司 2020-10-02 CN disclosed