SCHEMBL7982576

SCHEMBL7982576

CCC(C)(C)C(=O)C(=O)N1Cc2ccccc2CC1C(=O)OCCCCc1ccc(OC)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 0.68
MTOR P42345 1/20 0.47
FKBP4 Q02790 1/20 0.47
FKBP5 Q13451 1/20 0.47

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
SCHEMBL7982574 1.00 FKBP1A (0.68) FKBP1AMTORFKBP4FKBP5
SCHEMBL7251345 0.83 FKBP1A (0.88) FKBP1AMTORFKBP4FKBP5
SCHEMBL7252741 0.82 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7252100 0.82 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7246218 0.82 FKBP1A (0.73) FKBP1AMTORFKBP4FKBP5
SCHEMBL7976989 0.82 FKBP1A (0.71) FKBP1AMTORFKBP4FKBP5
SCHEMBL7400429 0.81 FKBP1A (1.00) FKBP1A
SCHEMBL7976724 0.81 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL7978726 0.80 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL7978725 0.80 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5

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
US-6323215-B1 TREAT AND PREVENT DISORDERS CHARACTERIZED BY NEURONAL DAMAGE SUCH AS PARKINSON'S DISEASE, ALZHEIMER'S DISEASE, STROKE, MULTIPLE SCLEROSIS, AMYOTROPHIC LATERAL SCLEROSIS, DIABETIC NEUROPATHY AND BELL'S PALSY. ORTHO-MCNEIL PHARMACEUTICAL, INC. 2001-11-27 US disclosed