SCHEMBL6172464

SCHEMBL6172464

COc1ccccc1CC[C@H](O)[C@H](C)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 5/20 0.49
BCHE P06276 5/20 0.44
RCE1 Q9Y256 1/20 0.43
TAAR1 Q96RJ0 2/20 0.43
KCNH2 Q12809 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
NPY1R P25929 1/20 0.42
HTT P42858 1/20 0.42
NPY2R P49146 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL6173327 0.87 HTR1A (0.49) ABCB1BCHEABCG2HTR1ADRD2
SCHEMBL6173226 0.85 RCE1 (0.48) BCHERCE1KCNH2KDM4ELMNA
SCHEMBL6171131 0.83 RCE1 (0.42) BCHERCE1TAAR1LMNAHTT
SCHEMBL6173227 0.82 SLC6A2 (0.49) RCE1TAAR1LMNAHTT
SCHEMBL6170668 0.82 PTGES (0.43) HTR1ADRD2
SCHEMBL6170362 0.80 KMT2A (0.46) RCE1KDM4EKMT2ASIGMAR1
SCHEMBL6172965 0.80 RCE1 (0.42) BCHERCE1HTTKMT2AL3MBTL1
SCHEMBL6173917 0.80 KMT2A (0.46) RCE1KDM4EKMT2ASIGMAR1
SCHEMBL6134190 0.80 RCE1 (0.40) BCHERCE1KCNH2LMNAHTT
SCHEMBL6173727 0.80 KMT2A (0.46) RCE1KDM4EKMT2ASIGMAR1

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 5 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-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed