SCHEMBL6172045

SCHEMBL6172045

Cc1ccc(CCC(=O)CO)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
FFAR1 O14842 2/20 0.53
SLC5A1 P13866 1/20 0.50
SLC5A2 P31639 1/20 0.50
F2RL1 P55085 1/20 0.47
PLAAT3 P53816 1/20 0.46
PLAAT5 Q96KN8 1/20 0.46
PLAAT2 Q9NWW9 1/20 0.46
PLAAT4 Q9UL19 1/20 0.46
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
CCR5 P51681 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 1/20 0.44
IDO1 P14902 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7338189 0.89 TDP1 (0.69) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL9404026 0.85 TDP1 (0.65) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL105765 0.83 TDP1 (0.62) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL10247190 0.82 L3MBTL1 (0.61) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL27957619 0.82 L3MBTL1 (0.61) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL11179937 0.82 TDP1 (0.61) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL4659400 0.82 L3MBTL1 (0.61) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL1051720 0.82 IAPP (0.61) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL11390257 0.81 TDP1 (0.55) TDP1L3MBTL1FFAR1SLC5A1SLC5A2
SCHEMBL7508200 0.80 MMP12 (0.66) TDP1L3MBTL1FFAR1SLC5A1SLC5A2

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