SCHEMBL7184465

SCHEMBL7184465

COc1cc(C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]2CCCc3ccc(OCc4ccncc4)cc32)cc(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 0.54
FKBP4 Q02790 2/20 0.49
FKBP5 Q13451 2/20 0.49
ABCC1 P33527 1/20 0.49

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
SCHEMBL7181869 1.00 FKBP1A (0.54) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7178021 0.95 FKBP1A (0.52) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7629572 0.87 FKBP1A (0.53) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL7625150 0.79 HRH3 (0.36) FKBP1A
SCHEMBL7175494 0.74 RXRA (0.44)
SCHEMBL7175491 0.74 RXRA (0.44)
SCHEMBL7623162 0.72 RXRA (0.39)
SCHEMBL14920732 0.71 FKBP1A (0.72) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL16310214 0.71 FKBP1A (0.80) FKBP1AFKBP4FKBP5ABCC1
SCHEMBL16310241 0.71 FKBP1A (0.95) FKBP1AFKBP4FKBP5ABCC1

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-0941112-B1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMA (US) 2003-02-12 EP disclosed