SCHEMBL7079974

SCHEMBL7079974

CC(C)(C)OC(=O)ON1CC(CO)C(c2ccc(COC(=O)NCc3ccccc3)cc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.43
KLK7 P49862 3/20 0.37
KLK5 Q9Y337 3/20 0.37
TACR1 P25103 2/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
ABCB1 P08183 1/20 0.35
BCHE P06276 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL7075568 0.91 REN (0.42) RENKLK7KLK5TACR1CTSL
SCHEMBL7081700 0.90 REN (0.42) RENTACR1
SCHEMBL7075316 0.88 REN (0.45) REN
SCHEMBL7075214 0.85 REN (0.43) RENTACR1
SCHEMBL6042455 0.84 REN (0.45) RENTACR1BCHECASP1
SCHEMBL7077508 0.84 REN (0.54) REN
SCHEMBL7084510 0.82 REN (0.40) RENTACR1
SCHEMBL7081233 0.82 REN (0.49) REN
SCHEMBL7076955 0.81 REN (0.40) REN
SCHEMBL7080889 0.80 REN (0.48) REN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed