SCHEMBL31069849

SCHEMBL31069849

O=c1cc(Oc2cc(OCc3ccccc3)ccc2Br)c2ccc(OCc3ccccc3)c(I)c2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
NPC1 O15118 2/20 0.45
MAOA P21397 2/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 1/20 0.43
PKM P14618 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 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
SCHEMBL31069852 1.00 MAOB (0.45) MAOBNPC1MAOACASP3RAB9A
SCHEMBL31069854 0.76 KDM4E (0.52) MAOBNPC1MAOACASP3RAB9A
SCHEMBL31069855 0.74 KDM4E (0.44) MAOBNPC1MAOACASP3RAB9A
SCHEMBL30628889 0.72 MAOB (0.59) MAOBMAOARAB9AL3MBTL1MAPT
SCHEMBL615020 0.72 MAOB (0.59) MAOBMAOARAB9AL3MBTL1MAPT
SCHEMBL31069856 0.71 MAOB (0.43) MAOBNPC1MAOACASP3RAB9A
SCHEMBL22787010 0.67 KDM4E (0.50) ARKDM4EALDH1A1POLBMAPT
SCHEMBL7778474 0.67 MAOB (0.59) MAOBMAOARAB9AL3MBTL1MAPT
SCHEMBL6119729 0.66 MAOB (0.58) MAOBMAOAL3MBTL1KDM4EALDH1A1
SCHEMBL31725937 0.66 MAOB (0.58) MAOBMAOAL3MBTL1KDM4EALDH1A1

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