SCHEMBL1233422

SCHEMBL1233422

COc1cc(C(=O)C(=O)N2CCC[C@H]2C(=O)O)cc(OC)c1OC

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 16/20 0.74
FKBP4 Q02790 2/20 0.49
FKBP5 Q13451 2/20 0.49
ABCC1 P33527 1/20 0.49
MMP2 P08253 1/20 0.46
ANPEP P15144 1/20 0.46

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
SCHEMBL1233420 1.00 FKBP1A (0.74) FKBP1AFKBP4FKBP5ABCC1MMP2
SCHEMBL5966161 0.96 FKBP1A (0.80) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7155851 0.96 FKBP1A (0.80) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7245239 0.92 FKBP1A (0.66) FKBP1AFKBP4FKBP5ABCC1MMP2
SCHEMBL11998537 0.87 FKBP1A (0.56) FKBP1AMMP2ANPEP
SCHEMBL1233000 0.84 FKBP1A (0.73) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL5966113 0.84 FKBP1A (0.63) FKBP1AFKBP5MMP2ANPEP
SCHEMBL14407836 0.84 FKBP1A (0.63) FKBP1AFKBP4FKBP5ABCC1MMP2
SCHEMBL11161406 0.81 ACE (0.50) FKBP1AMMP2ANPEP
SCHEMBL14407784 0.79 ITGB3 (0.53) FKBP1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110151006-A1 STIMULI-RESPONSIVE HYDROGEL ETH ZURICH (CH) 2011-06-23 US disclosed
EP-2285418-A1 STIMULI-RESPONSIVE HYDROGEL ETH Zurich (CH) 2011-02-23 EP disclosed
WO-2009146929-A1 STIMULI-RESPONSIVE HYDROGEL ETH Zürich (CH) 2009-12-10 WO disclosed