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SCHEMBL7609985

SCHEMBL7609985

Cc1cc(C(CN(Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(N(C(=O)OCc3ccccc3)S(C)(=O)=O)c2)c2ccc(O)c(C)c2)ccc1O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRB3 P13945 4/20 0.34
▸ CYP19A1 P11511 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ ADRB2 P07550 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL7606232 0.81 CYP19A1 (0.41) CYP19A1
SCHEMBL7610007 0.81 ADRB3 (0.38) ADRB3BACE1ADRB2
SCHEMBL5206971 0.75 CYP19A1 (0.47) CYP19A1FFAR4EGFR
SCHEMBL7606241 0.75 CYP19A1 (0.41) CYP19A1FFAR4
SCHEMBL7618225 0.73 L3MBTL1 (0.40) CYP19A1MEN1KMT2A
SCHEMBL7527737 0.73 POLB (0.43) CYP19A1MEN1KMT2A
SCHEMBL7621987 0.73 POLB (0.43) CYP19A1MEN1KMT2A
SCHEMBL5203737 0.72 CYP19A1 (0.47) CYP19A1
SCHEMBL7611061 0.72 MEN1 (0.41) MEN1KMT2AFFAR4
SCHEMBL7607722 0.71 CYP19A1 (0.37) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1230210-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-08-14 — — EP disclosed
WO-2001036375-A1 AMINOALCOHOL DERIVATIVES USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-25 — — WO disclosed