SCHEMBL21847739

SCHEMBL21847739

O=C(O)C(=O)OS(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
PARL Q9H300 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 1/20 0.44
HTR6 P50406 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MEN1 O00255 1/20 0.40
HSD17B10 Q99714 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL19810089 0.91 TSHR (0.48) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL9539575 0.82 TSHR (0.48) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL9539580 0.82 TSHR (0.48) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL31184336 0.82 TSHR (0.48) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL7319789 0.82 ALDH1A1 (0.50) SMN1; SMN2ALDH1A1KMT2ACA1CA2
Benzofuran SCHEMBL7276134 0.81 CA2 (0.50) TDP1PARLALDH1A1MAPTKMT2A
SCHEMBL1453922 0.80 ELANE (0.44) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL4436494 0.80 SMN1; SMN2 (0.46) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL12231032 0.80 TSHR (0.41) TDP1PARLSMN1; SMN2TSHRALDH1A1
SCHEMBL27830939 0.80 TSHR (0.46) TDP1PARLSMN1; SMN2TSHRALDH1A1

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
EP-3279206-B1 METHOD FOR PRODUCING EPIRUBICIN AND NOVEL PRODUCTION INTERMEDIATE THEREFOR MEIJI SEIKA PHARMA CO LTD (JP) 2020-04-22 EP disclosed