SCHEMBL7978726

SCHEMBL7978726

CCC(C)(C)C(=O)C(=O)N1Cc2ccccc2CC1C(=O)OCCCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 20/20 0.64
MTOR P42345 1/20 0.48
FKBP4 Q02790 1/20 0.48
FKBP5 Q13451 1/20 0.48

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
SCHEMBL7978725 1.00 FKBP1A (0.64) FKBP1AMTORFKBP4FKBP5
SCHEMBL7980342 0.83 FKBP1A (0.69) FKBP1A
SCHEMBL7980344 0.83 FKBP1A (0.69) FKBP1A
SCHEMBL7982576 0.80 FKBP1A (0.68) FKBP1AMTORFKBP4FKBP5
SCHEMBL7982574 0.80 FKBP1A (0.68) FKBP1AMTORFKBP4FKBP5
SCHEMBL7249394 0.80 FKBP1A (0.89) FKBP1A
SCHEMBL7976989 0.79 FKBP1A (0.71) FKBP1AMTORFKBP4FKBP5
SCHEMBL7392887 0.79 FKBP1A (1.00) FKBP1A
SCHEMBL7983145 0.77 ACE (0.54) FKBP1A
SCHEMBL7980422 0.77 ACE (0.54) 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 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