SCHEMBL873015

SCHEMBL873015

O=C1CCC2(CCCCC2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 3/20 0.40
DBF4 Q9UBU7 3/20 0.40
ALDH1A1 P00352 1/20 0.30
TRIM24 O15164 1/20 0.30
TRIM33 Q9UPN9 1/20 0.30

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
SCHEMBL20166486 0.75 CRBN (0.45)
SCHEMBL21627721 0.73
SCHEMBL22470021 0.72 ALDH1A1 (0.33) CDC7DBF4ALDH1A1TRIM24TRIM33
SCHEMBL31438389 0.69
Hydrochloric Acid SCHEMBL20555875 0.69 CDC7 (0.35) CDC7DBF4
SCHEMBL8525180 0.68 CYP2A6 (0.42) CDC7DBF4ALDH1A1
SCHEMBL4856995 0.67
SCHEMBL7290529 0.67 ALDH1A1 (0.34) ALDH1A1TRIM24TRIM33
SCHEMBL537099 0.67 ALDH1A1 (0.33) ALDH1A1TRIM24TRIM33
SCHEMBL3815762 0.67 TRIM24 (0.40) ALDH1A1TRIM24TRIM33

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-2619177-A1 MATRIX METALLOPROTEINASE INHIBITORS Ranbaxy Laboratories Limited (IN) 2013-07-31 EP disclosed
WO-2012038943-A1 MATRIX METALLOPROTEINASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-03-29 WO disclosed