SCHEMBL8710342

SCHEMBL8710342

COc1ccc(OC2CC(CO)C2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 10/20 0.44
▸ GRIN2B Q13224 10/20 0.44
▸ FFAR1 O14842 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ KDM1A O60341 1/20 0.39
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 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
SCHEMBL8710343 1.00 GRIN1 (0.44) GRIN1GRIN2BFFAR1CA12CA1
SCHEMBL20266970 0.81 SLC6A2 (0.52) GRIN1GRIN2BFFAR1
SCHEMBL16685958 0.80 NAAA (0.49) MAPTSMN1; SMN2MAOB
SCHEMBL21404962 0.78 GRIN1 (0.44) GRIN1GRIN2BHRH3
SCHEMBL21404961 0.78 GRIN1 (0.44) GRIN1GRIN2BHRH3
SCHEMBL16838744 0.73 SMN1; SMN2 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8710414 0.72 ALDH1A1 (0.45) GRIN1GRIN2BCA12CA1CA2
SCHEMBL8710412 0.72 ALDH1A1 (0.45) GRIN1GRIN2BCA12CA1CA2
SCHEMBL31434565 0.71 FURIN (0.41) TDP1HRH3CYP3A4
SCHEMBL31434568 0.71 FURIN (0.41) TDP1HRH3CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0693054-B1 CYCLOALKYLHYDROXYUREAS AND THEIR USE AS LIPOXYGENASE INHIBITORS PFIZER (US) 1998-06-10 — — EP disclosed
US-5681858-A Cycloalkyl hydroxyureas PFIZER INC. (US) 1997-10-28 — — US disclosed
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