SCHEMBL7979966

SCHEMBL7979966

CCC(C)(C)C(=O)C(=O)N1Cc2sccc2CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.46
FKBP1A P62942 13/20 0.40

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
SCHEMBL7977303 0.88 FKBP1A (0.51) FKBP1A
SCHEMBL7983145 0.81 ACE (0.54) ACEFKBP1A
SCHEMBL7980422 0.81 ACE (0.54) ACEFKBP1A
SCHEMBL7980051 0.75 OPRM1 (0.55) FKBP1A
SCHEMBL7966698 0.74 FKBP1A (0.67) FKBP1A
SCHEMBL7976681 0.69 KMT2A (0.43) ACEFKBP1A
SCHEMBL6317432 0.68 FKBP1A (0.57) FKBP1A
SCHEMBL6310790 0.67 ACE (0.48) ACEFKBP1A
Gpi-1485 SCHEMBL2006950 0.66 FKBP1A (0.66) FKBP1A
Gpi-1485 SCHEMBL3568704 0.66 FKBP1A (0.66) 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