SCHEMBL31069855

SCHEMBL31069855

O=c1cc(OS(=O)(=O)C(F)(F)F)c2ccc(OCc3ccccc3)c(I)c2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
AR P10275 1/20 0.43
CA9 Q16790 1/20 0.39
MAOB P27338 4/20 0.38
NPC1 O15118 1/20 0.38
MAOA P21397 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPK14 Q16539 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36

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
SCHEMBL31069854 0.78 KDM4E (0.52) KDM4EALDH1A1POLBMAPTCA9
SCHEMBL17847565 0.78 AR (0.67) ARMAOBNPC1MAOACASP3
SCHEMBL22787010 0.76 KDM4E (0.50) KDM4EALDH1A1POLBMAPTAR
SCHEMBL31069849 0.74 MAOB (0.45) KDM4EALDH1A1POLBMAPTAR
SCHEMBL31069852 0.74 MAOB (0.45) KDM4EALDH1A1POLBMAPTAR
SCHEMBL18586778 0.73 AR (0.41) ARMAOBNPC1MAOACASP3
SCHEMBL591400 0.70 MAPT (0.46) MAPTNPC1RAB9ATDP1L3MBTL1
SCHEMBL12986005 0.70 KCNA3 (0.51) ALDH1A1CA9MAOBCA12CA1
SCHEMBL6158795 0.68 HPGD (0.42) KDM4EALDH1A1MAPTCA9MAOB
SCHEMBL13176911 0.68 MAOA (0.48) KDM4EALDH1A1POLBMAPTMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515682-A Dolichosin A preparation method and intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed
CN-118515638-A Dolichosin A and preparation method of intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed