SCHEMBL6201987

SCHEMBL6201987

COCOc1[c]ccc(OCc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.50
ALOX5 P09917 1/20 0.45
BCHE P06276 3/20 0.41
GSTP1 P09211 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOA P21397 1/20 0.40
NSD2 O96028 1/20 0.40
ABL1 P00519 1/20 0.40
PPARG P37231 1/20 0.40
RIN1 Q13671 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40

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 0.88 ALOX5 (0.53) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL3948493 0.86 MAOB (0.58) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL2772599 0.85 MAOB (0.49) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL4601443 0.84 MAOB (0.45) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL2202368 0.83 MAOB (0.58) MAOBBCHE
SCHEMBL29023056 0.79 CCR1 (0.34) MAOBALDH1A1LMNACYP1A2
SCHEMBL27581024 0.78 BCHE (0.47) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL28747010 0.78 MAOB (0.44) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL27252705 0.78 MAOB (0.74) MAOBALOX5BCHECYP4F2CYP4A11
SCHEMBL28010652 0.77 ALOX5 (0.45) MAOBALOX5BCHECYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100467597-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
CN-100467598-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2009-03-11 CN disclosed
CN-101285061-A Fungal cell wall synthetic genes EISAI R&D MAN CO LTD (JP) 2008-10-15 CN disclosed
CN-1873003-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1873002-A Fungal cell wall synthesis gene EISAI CO LTD (JP) 2006-12-06 CN disclosed
CN-1249227-C Fungal cell wall synthetic genes EISAI CO LTD (JP) 2006-04-05 CN disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 WO disclosed
CN-1449443-A Fungal cell wall synthetic genes EISAI CO LTD (JP) 2003-10-15 CN disclosed
EP-1300464-A1 FUNGAL CELL WALL SYNTHESIS GENE Eisai Co., Ltd. (JP) 2003-04-09 EP disclosed