SCHEMBL7860696

SCHEMBL7860696

CC(C)(C)OC(=O)N1C[C@H](O[Si](C)(C)C(C)(C)C)C[C@H]1C(O)c1cccc(COC2CCCCO2)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.37
ABCB1 P08183 1/20 0.35
CREBBP Q92793 2/20 0.33
EP300 Q09472 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GHSR Q92847 2/20 0.32
CACNA1B Q00975 1/20 0.32
PDE4B Q07343 3/20 0.32
PRMT5 O14744 1/20 0.32
OPRK1 P41145 1/20 0.32
ICAM1 P05362 1/20 0.31
SELE P16581 1/20 0.31
SIRT2 Q8IXJ6 2/20 0.31
GPR119 Q8TDV5 2/20 0.30

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
SCHEMBL7859856 0.91 KLK7 (0.37) KLK7ABCB1CREBBPEP300PDE4B
SCHEMBL7859559 0.87 ABCB1 (0.35) KLK7ABCB1MAPTNPSR1GHSR
SCHEMBL7854724 0.85 ABCB1 (0.34) ABCB1MAPTNPSR1PDE4B
SCHEMBL7860702 0.84 NR1H3 (0.36) ABCB1GHSRGPR119
SCHEMBL6404153 0.80 HTRA1 (0.38) ABCB1PRMT5GPR119
SCHEMBL7859048 0.80 HTRA1 (0.38) ABCB1PRMT5GPR119
SCHEMBL7860716 0.79 ABCB1 (0.40) KLK7ABCB1CREBBPEP300PRMT5
SCHEMBL7852779 0.79 KLK7 (0.33) KLK7ABCB1ICAM1SELEGPR119
SCHEMBL7860701 0.77 MEN1 (0.36) ABCB1MAPTPRMT5
SCHEMBL9399973 0.76

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-0747381-B1 CARBAPENEM DERIVATIVE BANYU PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5707987-A BACTERICIDE ANTIBIOTICS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-01-13 US disclosed
EP-0747381-A1 CARBAPENEM DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-12-11 EP disclosed