SCHEMBL14647262

SCHEMBL14647262

CC(C)(C(=O)O)S(=O)(=O)C1CCC(O)CC1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP13 P45452 1/20 0.33
EPHX2 P34913 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL32670590 0.92 CNR2 (0.35) CNR2
SCHEMBL1621233 0.83 CNR2 (0.31) CNR2
SCHEMBL766694 0.82 CNR2 (0.46) CNR2
SCHEMBL1621074 0.82 EPHX1 (0.32) CNR2MMP13EPHX2
SCHEMBL10171735 0.79 CNR2 (0.32) CNR2
SCHEMBL766807 0.79 CNR2 (0.32) CNR2
SCHEMBL2184860 0.79 CNR2 (0.32) CNR2
SCHEMBL1691293 0.74 TP53 (0.45)
SCHEMBL14664306 0.69 CNR2 (0.32) CNR2
SCHEMBL20594856 0.66 EPHX2 (0.33) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2342200-B1 Compounds which selectively modulate the cb2 receptor BOEHRINGER INGELHEIM INT (DE) 2013-01-23 EP disclosed