SCHEMBL7977303

SCHEMBL7977303

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

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 18/20 0.51
PTPN1 P18031 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7979966 0.88 ACE (0.46) FKBP1A
SCHEMBL7976681 0.82 KMT2A (0.43) FKBP1APTPN1KMT2A
SCHEMBL7966698 0.79 FKBP1A (0.67) FKBP1A
SCHEMBL7250340 0.71 FKBP1A (0.82) FKBP1A
SCHEMBL7983145 0.70 ACE (0.54) FKBP1A
SCHEMBL7980422 0.70 ACE (0.54) FKBP1A
SCHEMBL7980051 0.69 OPRM1 (0.55) FKBP1AKMT2A
SCHEMBL2004442 0.69 FKBP1A (0.92) FKBP1A
SCHEMBL15048988 0.69 FKBP1A (0.92) FKBP1A
SCHEMBL4679960 0.68 FKBP1A (1.00) 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