SCHEMBL28751069

SCHEMBL28751069

CCOc1ccc(S(=O)(=O)O)c(C(=O)OC(=O)c2cc(OCC)ccc2S(=O)(=O)O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.49
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 2/20 0.41
KAT6A Q92794 1/20 0.41
FADS1 O60427 1/20 0.40
POLB P06746 1/20 0.40
PARP10 Q53GL7 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABL1 P00519 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
SCHEMBL28751071 0.91 LMNA (0.45) CTDSP1MAPTL3MBTL1ALDH1A1KAT6A
SCHEMBL28751063 0.83 KDM4E (0.44) KDM4EMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL11088817 0.78 THRB (0.48) CTDSP1L3MBTL1
SCHEMBL1606269 0.76 CTDSP1 (0.59) CTDSP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL9699035 0.76 KDM4E (0.68) KDM4EMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL28751067 0.74 MAPT (0.46) KDM4EMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL1816735 0.73 KDM4E (0.55) KDM4EMAPTL3MBTL1ALDH1A1CYP1A2
SCHEMBL342840 0.73 CTDSP1 (0.72) CTDSP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL342839 0.73 CTDSP1 (0.49) CTDSP1KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL576368 0.72 CES2 (0.41) KDM4EALDH1A1CA12CA1CA2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114680106-B Antibacterial liquid, preparation method and application thereof, and antibacterial product 中国科学院化学研究所 2022-09-20 CN disclosed
CN-114752273-B Antibacterial liquid, preparation method and application thereof, and antibacterial product 中国科学院化学研究所 2022-09-06 CN disclosed
CN-114561128-B Antifogging agent, preparation method and application thereof, and antifogging product 中国科学院化学研究所 2022-09-02 CN disclosed
CN-114561137-B Antifogging agent, preparation method and application thereof, and antifogging product 中国科学院化学研究所 2022-09-02 CN disclosed
CN-114752273-A Antibacterial liquid, preparation method and application thereof, and antibacterial product 中国科学院化学研究所 2022-07-15 CN disclosed
CN-114680106-A Antibacterial liquid, preparation method and application thereof, and antibacterial product 中国科学院化学研究所 2022-07-01 CN disclosed
CN-114561137-A Antifogging agent, preparation method and application thereof, and antifogging product 中国科学院化学研究所 2022-05-31 CN disclosed
CN-114561128-A Antifogging agent, preparation method and application thereof, and antifogging product 中国科学院化学研究所 2022-05-31 CN disclosed