SCHEMBL6170912

SCHEMBL6170912

CCOC(=O)c1cccc(CCC(O)CO[Si](C)(C)C(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
ADRB2 P07550 5/20 0.44
ADRB1 P08588 5/20 0.44
ADRB3 P13945 5/20 0.44
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CA2 P00918 1/20 0.42
MEP1B Q16820 1/20 0.42
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL6171470 0.80 CYP4F2 (0.54) CYP4F2CYP4A11RAB9ANPC1MAPT
SCHEMBL7669344 0.78 ADA (0.50) CYP4F2CYP4A11F2F10
SCHEMBL6168436 0.78 SLC7A5 (0.44) CYP4F2CYP4A11ADRB2ADRB1ADRB3
SCHEMBL6171832 0.77 DHFR (0.41) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6171825 0.77 DHFR (0.41) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6990853 0.76 HDAC3 (0.42) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL6990850 0.76 HDAC3 (0.42) ADRB2ADRB1ADRB3MAPTSMN1; SMN2
SCHEMBL20261156 0.76 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL29235353 0.76 ADRB2 (0.53) ADRB2ADRB1ADRB3ALDH1A1
SCHEMBL6990188 0.75 HDAC3 (0.36) ADRB2ADRB1ADRB3RAB9ANPC1

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-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