SCHEMBL7109850

SCHEMBL7109850

CCOC(=O)/C=C/c1cc(C(C)(C)C)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.53
MAOB P27338 1/20 0.52
ESR1 P03372 1/20 0.49
BACE1 P56817 1/20 0.47
ACHE P22303 4/20 0.47
BCHE P06276 3/20 0.47
JUN P05412 1/20 0.46
NFKB1 P19838 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATM Q13315 1/20 0.44
TTR P02766 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL7109852 1.00 FDPS (0.53) FDPSMAOBESR1BACE1ACHE
SCHEMBL11210622 0.84 ESR1 (0.60) MAOBESR1ALDH1A1KDM4EHPGD
SCHEMBL11210618 0.84 ESR1 (0.60) MAOBESR1ALDH1A1KDM4EHPGD
SCHEMBL13238820 0.83 ESR1 (0.67) FDPSMAOBESR1DPP4TTR
SCHEMBL2690713 0.82 FDPS (0.56) FDPSMAOBBACE1ACHEBCHE
SCHEMBL14143629 0.82 BACE1 (0.69) FDPSMAOBESR1BACE1ALDH1A1
SCHEMBL5574666 0.82 FDPS (0.56) FDPSMAOBBACE1ACHEBCHE
SCHEMBL7109844 0.82 KDM4E (0.53) BACE1JUNNFKB1ALDH1A1KDM4E
SCHEMBL7109843 0.82 KDM4E (0.53) BACE1JUNNFKB1ALDH1A1KDM4E
SCHEMBL17722573 0.81 MAOB (0.60) FDPSMAOBESR1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183236-B1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA GMBH (DE) 2003-10-22 EP disclosed
EP-1183236-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES Aventis Pharma Deutschland GmbH (DE) 2002-03-06 EP disclosed
US-6350778-B1 CARDIOVASCULAR DISORDERS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-02-26 US disclosed
WO-2000071513-A1 CINNAMOYLAMINOALKYL-SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-30 WO disclosed