SCHEMBL6172965

SCHEMBL6172965

Cc1cccc(CC[C@H](O)[C@H](C)OCc2ccccc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.42
HTT P42858 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGER3 P43115 2/20 0.38
PTGER2 P43116 2/20 0.38
PTGER1 P34995 1/20 0.38
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KCNA5 P22460 1/20 0.35
P2RX7 Q99572 1/20 0.35
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL6171131 0.91 RCE1 (0.42) RCE1HTTPTGER4PTGER3PTGER2
SCHEMBL6173226 0.84 RCE1 (0.48) RCE1HTTMAPK1MMP9MMP8
SCHEMBL6173727 0.82 KMT2A (0.46) RCE1TDP1ALDH1A1KMT2APSMB5
SCHEMBL6170362 0.82 KMT2A (0.46) RCE1TDP1ALDH1A1KMT2APSMB5
SCHEMBL6173917 0.82 KMT2A (0.46) RCE1TDP1ALDH1A1KMT2APSMB5
SCHEMBL6173227 0.81 SLC6A2 (0.49) RCE1HTTMMP9MMP8
SCHEMBL6171925 0.81 SLC6A2 (0.39) RCE1HTTMAPTL3MBTL1MMP9
SCHEMBL6172464 0.80 ABCB1 (0.49) RCE1HTTL3MBTL1KMT2ABCHE
SCHEMBL6134190 0.79 RCE1 (0.40) RCE1HTTRECQLMAPTMAPK1
SCHEMBL6173327 0.78 HTR1A (0.49) PTGER4PTGER3PTGER2PTGER1BCHE

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