SCHEMBL11577985

SCHEMBL11577985

CCOC(=O)c1cc(S(=O)(=O)c2ccc(C(=O)O)c(C(=O)OCC)c2)ccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
APEX1 P27695 2/20 0.51
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
LMNA P02545 6/20 0.48
TSHR P16473 4/20 0.48
KDM4E B2RXH2 4/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
KMT2A Q03164 2/20 0.46
GAA P10253 3/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 1/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL11576399 0.88 ALDH1A1 (0.50) L3MBTL1APEX1POLBCTDSP1LMNA
Hydrochloric Acid SCHEMBL9696878 0.88 LMNA (0.53) L3MBTL1LMNATSHRKDM4ECA12
SCHEMBL11576164 0.85 TSHR (0.53) L3MBTL1APEX1POLBCTDSP1LMNA
SCHEMBL11576165 0.82 POLB (0.55) L3MBTL1APEX1POLBCTDSP1LMNA
Ammonia Solution, Strong SCHEMBL11519656 0.82 S1PR3 (0.51) L3MBTL1APEX1POLBCTDSP1LMNA
SCHEMBL28497003 0.82 S1PR3 (0.51) L3MBTL1APEX1POLBCTDSP1LMNA
SCHEMBL1863791 0.81 TSHR (0.55) L3MBTL1LMNATSHRKDM4ECA12
SCHEMBL28948566 0.81 TSHR (0.55) L3MBTL1LMNATSHRKDM4ECA12
SCHEMBL337973 0.80 TSHR (0.53) LMNATSHRKDM4ECA12CA1
SCHEMBL11574049 0.79 POLB (0.56) L3MBTL1APEX1POLBCTDSP1LMNA

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-4097456-A Preparation of acetylene-substituted polyimide oligomers and polyimide polymers GULF RESEARCH & DEVELOPMENT COMPANY (US) 1978-06-27 US disclosed