SCHEMBL7338652

SCHEMBL7338652

SCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.54
FOLH1 Q04609 2/20 0.51
KDM4E B2RXH2 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
BLM P54132 1/20 0.51
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
FFAR4 Q5NUL3 1/20 0.49
FFAR1 O14842 1/20 0.49
MTNR1A P48039 2/20 0.48
MTNR1B P49286 2/20 0.48
APP P05067 1/20 0.48
ATM Q13315 1/20 0.47

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
SCHEMBL28852579 0.83 KDM4E (0.55) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL3272392 0.83 SLC2A1 (0.54) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL7339434 0.83 SLC2A1 (0.54) SLC2A1FOLH1KDM4ECYP1A2CYP3A4
SCHEMBL7802750 0.83 SLC2A1 (0.54) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL360371 0.83 CYP4F2 (0.63) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL5628566 0.81 SLC2A1 (0.52) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9025608 0.80 MTNR1A (0.52) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL9826817 0.80 MAOB (0.58) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL19194585 0.80 LTA4H (0.64) SLC2A1KDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL19194551 0.80 KDM4E (0.59) KDM4ECYP1A2CYP3A4CYP2D6CYP2C9

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-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed