SCHEMBL4601443

SCHEMBL4601443

COCCOc1cc[c]c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
CHRNA4 P43681 1/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
BCHE P06276 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2093026 0.86 ALOX5 (0.53) MAOBL3MBTL1ALOX5LMNAMEN1
SCHEMBL2202368 0.85 MAOB (0.58) MAOBBCHE
SCHEMBL6201987 0.84 MAOB (0.50) MAOBL3MBTL1ALOX5NPC1LMNA
SCHEMBL3948493 0.82 MAOB (0.58) MAOBALOX5LMNABCHECYP4F2
SCHEMBL2772599 0.81 MAOB (0.49) MAOBL3MBTL1ALOX5LMNABCHE
SCHEMBL15474940 0.80 MAPK1 (0.40) NPC1KDM4ECHRNB2CHRNA4ALDH1A1
SCHEMBL15474531 0.79 MAOB (0.48) MAOBL3MBTL1MEN1KMT2ABCHE
SCHEMBL7295428 0.79 L3MBTL1 (0.44) MAOBL3MBTL1ALOX5LMNASMN1; SMN2
SCHEMBL20703590 0.77 MAPK1 (0.42) L3MBTL1NPC1LMNAKDM4EMEN1
SCHEMBL7953637 0.77 MAPK1 (0.40) MAOBL3MBTL1NPC1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed