SCHEMBL6168436

SCHEMBL6168436

COC(=O)Cc1cccc(CCC(O)CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.44
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GFER P55789 1/20 0.35
SYK P43405 1/20 0.35
TLR7 Q9NYK1 5/20 0.34
HSP90AB1 P08238 1/20 0.34
HPGD P15428 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
PDK2 Q15119 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL6171059 0.79 SLC7A5 (0.43) SLC7A5CYP4F2CYP4A11GAAALDH1A1
SCHEMBL6171825 0.79 DHFR (0.41) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6171832 0.79 DHFR (0.41) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6170912 0.78 CYP4F2 (0.52) ADRB2ADRB1ADRB3F2F10
SCHEMBL7456307 0.77 SLC7A5 (0.35) SLC7A5SYKTLR7
SCHEMBL24115563 0.75 CASR (0.41)
SCHEMBL4394735 0.74 SLC7A5 (0.62) SLC7A5CYP4F2CYP4A11GAAALDH1A1
SCHEMBL8477162 0.73 CHRNA7 (0.40) NPC1RAB9A
SCHEMBL6947288 0.73 CHRNA7 (0.40) NPC1RAB9A
SCHEMBL14987130 0.73 SLC7A5 (0.41) SLC7A5CYP4F2CYP4A11GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098885-B9 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-18 EP disclosed
EP-1098885-B1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2004-11-17 EP disclosed
US-6359145-B1 ADENOSINE DEAMINASE INHIBITOR; ANTIINFLAMMATORY AGENTS; IMMUNOSUPPRESSANT FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2001026605-A2 IMMUNOSUPPRESSIVE COMPOSITION CONTAINING IL-2 INHIBITOR AND AN ADENOSINE DEAMINASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-19 WO disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed