SCHEMBL5936645

SCHEMBL5936645

Cc1cc(OCCOCc2ccccc2)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MAPT P10636 2/20 0.43
MAOB P27338 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
ALOX5 P09917 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
TSHR P16473 1/20 0.40
PKM P14618 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
SCHEMBL4170449 0.93 MEN1 (0.52) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL749857 0.86 MEN1 (0.59) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL214564 0.85 RAB9A (0.46) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL34465802 0.82 MAOB (0.43) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8220968 0.82 MAOB (0.43) NPC1RAB9ASMN1; SMN2TDP1MAPT
SCHEMBL1870380 0.82 MEN1 (0.59) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL4163135 0.80 S1PR1 (0.46) TDP1L3MBTL1MAOBKDM4EMAPK1
SCHEMBL17669520 0.80 NCF1 (0.48) MEN1KMT2APOLBNPC1RAB9A
SCHEMBL29870987 0.79 MAOB (0.43) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1
SCHEMBL26428048 0.79 MAOB (0.43) NPC1RAB9ASMN1; SMN2TDP1L3MBTL1

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
US-20060035844-A1 Preventive or remedy for diseases caused by hyperglycemia KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-02-16 US disclosed
EP-1568380-A1 PREVENTIVE OR REMEDY FOR DISEASES CAUSED BY HYPERGLYCEMIA Kissei Pharmaceutical Co., Ltd. (JP) 2005-08-31 EP disclosed