SCHEMBL5725630

SCHEMBL5725630

O=C1C(=Cc2ccc(O)cc2)CCc2cc(O)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MIF P14174 15/20 1.00
CYP26A1 O43174 4/20 1.00
MAOB P27338 3/20 0.83
CYP19A1 P11511 1/20 0.79
MAOA P21397 1/20 0.75
CYP1A2 P05177 1/20 0.67
CYP3A4 P08684 1/20 0.67
CYP2C9 P11712 1/20 0.67

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
SCHEMBL5726552 0.93 MIF (0.86) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL551815 0.91 MIF (0.84) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL5724962 0.91 MIF (0.84) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL551814 0.91 MIF (0.84) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL551813 0.91 MIF (0.84) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL5724535 0.91 MIF (1.00) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL20809674 0.89 MIF (0.80) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL5726517 0.88 MIF (0.79) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL5724942 0.88 MIF (1.00) MIFCYP26A1MAOBCYP19A1MAOA
SCHEMBL5724989 0.87 MIF (1.00) MIFCYP26A1MAOBCYP19A1MAOA

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
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US claimed
EP-0902003-B1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME DAIICHI SEIYAKU CO (JP) 2006-07-26 EP disclosed
US-6080781-A Tetralone or benzopyranone derivatives and a method for producing them SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 2000-06-27 US disclosed
EP-0902003-A1 NOVEL TETRALONE OR BENZOPYRANONE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SNOW BRAND MILK PRODUCTS CO., LTD. (JP) 1999-03-17 EP disclosed