SCHEMBL6809948

SCHEMBL6809948

CCOc1cc(CCN[C@@H](C)[C@@H](O)c2ccc(O)cc2)c(Cl)cc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 6/20 0.68
ADRB2 P07550 1/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46

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
SCHEMBL6809939 1.00 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6812818 0.92 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6812830 0.92 ADRB3 (0.68) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL3016909 0.91 ADRB3 (0.75) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL3016912 0.91 ADRB3 (0.75) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6809890 0.91 ADRB3 (0.73) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6809894 0.91 ADRB3 (0.73) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6812813 0.85 ADRB3 (0.70) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6812797 0.85 ADRB3 (0.70) ADRB3ADRB2LMNACYP2D6HIF1A
SCHEMBL6814274 0.84 ADRB3 (0.77) ADRB3ADRB2LMNACYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed